402-49-3 Archives - Page 12 of 13 - Bromides-buliding-blocks

Ge, Qianyi team published research in Chinese Journal of Chemistry in | 402-49-3

Computed Properties of 402-49-3, 4-Trifluoromethylbenzyl bromide is a useful research compound. Its molecular formula is C8H6BrF3 and its molecular weight is 239.03 g/mol. The purity is usually 95%.
4-Trifluoromethylbenzyl bromide is a choline derivative that acts as an anticancer agent. It is structurally similar to the anticancer drug doxorubicin, which has been shown to be effective against breast cancer and leukemia. 4-Trifluoromethylbenzyl bromide interacts with cellular proteins, including choline kinase, and inhibits the mitochondrial pathway. This leads to cell death through apoptosis. The molecule also interacts with nucleotide bases such as thymine and cytosine in DNA, inhibiting transcription and replication. 4-Trifluoromethylbenzyl bromide binds strongly to the hydroxyl group of cholesterol by an electrophilic substitution mechanism to form a covalent bond with its hydroxy group. The molecule can also bind to chloride ions by an ionic bond., 402-49-3.

Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. 402-49-3, formula is C8H6BrF3, Name is 1-(Bromomethyl)-4-(trifluoromethyl)benzene. Organic compounds having carbon bonded to bromine are called organic bromides. Computed Properties of 402-49-3.

Ge, Qianyi;Meng, Jingjie;Liu, Huikang;Yang, Zehua;Wu, Zhengxing;Zhang, Wanbin research published 《 Palladium-Catalyzed Long-Range Isomerization of Aryl Olefins》, the research content is summarized as follows. A Pd-catalyzed long-range olefin isomerization (up to 15 units) for general aryl olefins via a 1,2-hydrogen shift mechanism was reported. This methodol. provided a simple pathway to long-range olefin isomerization without the participation of special ligands or co-catalysts.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Elkamhawy, Ahmed team published research in Bioorganic Chemistry in 2021 | 402-49-3

Name: 1-(Bromomethyl)-4-(trifluoromethyl)benzene, 4-Trifluoromethylbenzyl bromide is a useful research compound. Its molecular formula is C8H6BrF3 and its molecular weight is 239.03 g/mol. The purity is usually 95%.
4-Trifluoromethylbenzyl bromide is a choline derivative that acts as an anticancer agent. It is structurally similar to the anticancer drug doxorubicin, which has been shown to be effective against breast cancer and leukemia. 4-Trifluoromethylbenzyl bromide interacts with cellular proteins, including choline kinase, and inhibits the mitochondrial pathway. This leads to cell death through apoptosis. The molecule also interacts with nucleotide bases such as thymine and cytosine in DNA, inhibiting transcription and replication. 4-Trifluoromethylbenzyl bromide binds strongly to the hydroxyl group of cholesterol by an electrophilic substitution mechanism to form a covalent bond with its hydroxy group. The molecule can also bind to chloride ions by an ionic bond., 402-49-3.

Organic compounds having carbon bonded to bromine are called organic bromides. 402-49-3, formula is C8H6BrF3, Name is 1-(Bromomethyl)-4-(trifluoromethyl)benzene. Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Name: 1-(Bromomethyl)-4-(trifluoromethyl)benzene.

Elkamhawy, Ahmed;Paik, Sora;Park, Jong-Hyun;Kim, Hyeon Jeong;Hassan, Ahmed H. E.;Lee, Kyeong;Park, Ki Duk;Roh, Eun Joo research published 《 Discovery of novel and potent safinamide-based derivatives as highly selective hMAO-B inhibitors for treatment of Parkinson’s disease (PD): Design, synthesis, in vitro, in vivo and in silico biological studies》, the research content is summarized as follows. Up to date, the current clin. practice employs only symptomatic treatments for management of Parkinson’s disease (PD) but unable to stop disease progression. The discovery of new chem. entities endowed with potent and selective human monoamine oxidase B (hMAO-B) inhibitory activity is a clin. relevant subject. Herein, a structural optimization strategy for safinamide (a well-known second generation hMAO-B inhibitor) afforded a series of thirty-six safinamide-derived new analogs (4aa-bj). Most compounds showed promising inhibitory activities against hMAO-B (>70% inhibition at a single dose concentration of 10μM), with no apparent effect on hMAO-A at 100μM. Moreover, while six compounds (4ak, 4as, 4az, 4be, 4bg, and 4bi) exhibited potent double-digit nanomolar activities over hMAO-B with IC₅₀ values of 29.5, 42.2, 22.3, 18.8, 42.2, and 33.9 nM, resp., three derivatives (4aq, 4at, and 4bf), possessing the same carboxamide moiety (2-pyrazinyl), showed the most potent single-digit nanomolar activities (IC₅₀ = 9.7, 5.1, and 3.9 nM, resp.). Compound 4bf revealed an excellent selectivity index (SI > 25641) with a 29-fold increase compared to safinamide (SI > 892). A structure activity relationship along with mol. docking simulations provided insights into enzyme – inhibitor interactions and a rational for the observed activity. In an in vivo MPTP-induced mouse model of PD, oral administration of compound 4bf significantly protected nigrostriatal dopaminergic neurons as revealed by tyrosine hydroxylase staining and prevented MPTP-induced Parkinsonism as revealed by motor behavioral assays. Accordingly, we present compound 4bf as a novel, highly potent, and selective hMAO-B inhibitor with an effective therapeutic profile for relieving PD.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Erasmus, Chane team published research in Bioorganic Chemistry in 2021 | 402-49-3

402-49-3, 4-Trifluoromethylbenzyl bromide is a useful research compound. Its molecular formula is C8H6BrF3 and its molecular weight is 239.03 g/mol. The purity is usually 95%.
4-Trifluoromethylbenzyl bromide is a choline derivative that acts as an anticancer agent. It is structurally similar to the anticancer drug doxorubicin, which has been shown to be effective against breast cancer and leukemia. 4-Trifluoromethylbenzyl bromide interacts with cellular proteins, including choline kinase, and inhibits the mitochondrial pathway. This leads to cell death through apoptosis. The molecule also interacts with nucleotide bases such as thymine and cytosine in DNA, inhibiting transcription and replication. 4-Trifluoromethylbenzyl bromide binds strongly to the hydroxyl group of cholesterol by an electrophilic substitution mechanism to form a covalent bond with its hydroxy group. The molecule can also bind to chloride ions by an ionic bond., Recommanded Product: 1-(Bromomethyl)-4-(trifluoromethyl)benzene

One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine. 402-49-3, formula is C8H6BrF3, Name is 1-(Bromomethyl)-4-(trifluoromethyl)benzene, Recommanded Product: 1-(Bromomethyl)-4-(trifluoromethyl)benzene

Erasmus, Chane;Aucamp, Janine;Smit, Frans J.;Seldon, Ronnett;Jordaan, Audrey;Warner, Digby F.;N’Da, David D. research published 《 Synthesis and comparison of in vitro dual anti-infective activities of novel naphthoquinone hybrids and atovaquone》, the research content is summarized as follows. A principal factor that contributes towards the failure to eradicate leishmaniasis and tuberculosis infections is the reduced efficacy of existing chemotherapies, owing to a continuous increase in multidrug-resistant strains of the causative pathogens. This accentuates the dire need to develop new and effective drugs against both plights. A series of naphthoquinone-triazole hybrids was synthesized and evaluated in vitro against Leishmania (L.) and Mycobacterium tuberculosis (Mtb) strains. Their cytotoxicities were also evaluated, using the human embryonic kidney cell line (HEK-293). The hybrids were found to be non-toxic towards human cells and had demonstrated micromolar cellular antileishmanial and antimycobacterial potencies. Hybrid 13, i.e. 2-{[1-(4-methylbenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione was the most active of all. It was found with MIC₉₀ 0.5μM potency against Mtb in a protein free medium, and with half-maxima inhibitory concentrations (IC₅₀) of 0.81μM and 1.48μM against the infective promastigote parasites of L. donavani and L. major, resp., with good selectivity towards these pathogens (SI 22 – 65). Comparatively, the clin. naphthoquinone, atovaquone, although less cytotoxic, was found to be two-fold less antimycobacterial potent, and six- to twelve-fold less active against leishmania. Hybrid 13 may therefore stand as a potential anti-infective hit for further development in the search for new antitubercular and antileishmanial drugs. Elucidation of its exact mechanism of action and mol. targets will constitute future endeavour.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Djukanovic, Dimitrije team published research in Angewandte Chemie, International Edition in 2022 | 402-49-3

Category: bromides-buliding-blocks, 4-Trifluoromethylbenzyl bromide is a useful research compound. Its molecular formula is C8H6BrF3 and its molecular weight is 239.03 g/mol. The purity is usually 95%.
4-Trifluoromethylbenzyl bromide is a choline derivative that acts as an anticancer agent. It is structurally similar to the anticancer drug doxorubicin, which has been shown to be effective against breast cancer and leukemia. 4-Trifluoromethylbenzyl bromide interacts with cellular proteins, including choline kinase, and inhibits the mitochondrial pathway. This leads to cell death through apoptosis. The molecule also interacts with nucleotide bases such as thymine and cytosine in DNA, inhibiting transcription and replication. 4-Trifluoromethylbenzyl bromide binds strongly to the hydroxyl group of cholesterol by an electrophilic substitution mechanism to form a covalent bond with its hydroxy group. The molecule can also bind to chloride ions by an ionic bond., 402-49-3.

Djukanovic, Dimitrije;Ganiek, Maximilian A.;Nishi, Kohei;Karaghiosoff, Konstantin;Mashima, Kazushi;Knochel, Paul research published 《 Preparation of Functionalized Amides Using Dicarbamoylzincs》, the research content is summarized as follows. Authors report a new convenient preparation of dicarbamoylzincs of type (R¹R²NCO)₂Zn by the treatment of ZnCl₂ and formamides R¹R²NCHO with LiTMP in THF (15°C, 15 min) or by the reaction of formamides R¹R²NCHO with TMP₂Zn (25°C, 16 h). This second method tolerates sensitive groups such as an ester, ketone or nitro function. Reaction of these dicarbamoylzincs with allylic, benzylic, aryl, alkenyl bromides, acid chlorides, aldehydes or enones provided various polyfunctional amides in 47-97% yields.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dhorma, Lama Prema team published research on European Journal of Medicinal Chemistry in 2022 | 402-49-3

Quality Control of 402-49-3, 4-Trifluoromethylbenzyl bromide is a useful research compound. Its molecular formula is C8H6BrF3 and its molecular weight is 239.03 g/mol. The purity is usually 95%.
4-Trifluoromethylbenzyl bromide is a choline derivative that acts as an anticancer agent. It is structurally similar to the anticancer drug doxorubicin, which has been shown to be effective against breast cancer and leukemia. 4-Trifluoromethylbenzyl bromide interacts with cellular proteins, including choline kinase, and inhibits the mitochondrial pathway. This leads to cell death through apoptosis. The molecule also interacts with nucleotide bases such as thymine and cytosine in DNA, inhibiting transcription and replication. 4-Trifluoromethylbenzyl bromide binds strongly to the hydroxyl group of cholesterol by an electrophilic substitution mechanism to form a covalent bond with its hydroxy group. The molecule can also bind to chloride ions by an ionic bond., 402-49-3.

Dhorma, Lama Prema;Teli, Mahesh K.;Nangunuri, Bhargav Gupta;Venkanna, Arramshetti;Ragam, Rao;Maturi, Arunkranthi;Mirzaei, Anvar;Vo, Dang-Khoa;Maeng, Han-Joo;Kim, Mi-hyun research published 《 Positioning of an unprecedented 1,5-oxaza spiroquinone scaffold into SMYD2 inhibitors in epigenetic space》, the research content is summarized as follows. Lysine methyltransferases are important regulators of epigenetic signaling and are emerging as a novel drug target for drug discovery. This work demonstrates the positioning of novel 1,5-oxaza spiroquinone scaffold into selective SET and MYND domain-containing proteins 2 methyltransferases inhibitors. Selectivity of the scaffold was identified by epigenetic target screening followed by SAR study for the scaffold. The optimization was performed iteratively by two-step optimization consisting of iterative synthesis and computational studies (docking, metadynamics simulations). Computational binding studies guided the important interactions of the spiro[5.5]undeca scaffold in pocket 1 and Lysine channel and suggested extension of tail length for the improvement of potency (IC₅₀: up to 399 nM). The effective performance of cell proliferation assay for chosen compounds (IC₅₀: up to 11.9 nM) led to further evaluation in xenograft assay. The potent compound 24 demonstrated desirable in vivo efficacy with growth inhibition rate of 77.7% (4 fold decrease of tumor weight and 3 fold decrease of tumor volume). Moreover, mirosomal assay and pharmacokinetic profile suggested further developability of this scaffold through the identification of major metabolites (dealkylation at silyl group, reversible hydration product, the absence of toxic quinone fragments) and enough exposure of the testing compound 24 in plasma. Such spiro[5.5]undeca framework or ring system was neither been reported nor suggested as a modulator of methyltransferases. The chemo-centric target positioning and structural novelty can lead to potential pharmacol. benefit.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dhungana, Roshan K. team published research on Angewandte Chemie, International Edition in 2021 | 402-49-3

Organic bromides such as alkyl bromides are used as fumigants in agriculture to control insects. 402-49-3, formula is C8H6BrF3, Name is 1-(Bromomethyl)-4-(trifluoromethyl)benzene. Ethylene bromide is one of the commercially important organic bromides which are the component of leaded gasoline. Application of C8H6BrF3.

Dhungana, Roshan K.;Sapkota, Rishi R.;Wickham, Laura M.;Niroula, Doleshwar;Shrestha, Bijay;Giri, Ramesh research published 《 Ni-Catalyzed Arylbenzylation of Alkenylarenes: Kinetic Studies Reveal Autocatalysis by ZnX₂》, the research content is summarized as follows. We report a Ni-catalyzed regioselective arylbenzylation of alkenylarenes with benzyl halides and arylzinc reagents. The reaction furnishes differently substituted 1,1,3-triarylpropyl structures that are reminiscent of the cores of oligoresveratrol natural products. The reaction is also compatible for the coupling of internal alkenes, secondary benzyl halides and variously substituted arylzinc reagents. Kinetic studies reveal that the reaction proceeds with a rate-limiting single-electron-transfer process and is autocatalyzed by in-situ-generated ZnX₂. The reaction rate is amplified by a factor of three through autocatalysis upon addition of ZnX₂.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dang, Xin team published research on Bioorganic Chemistry in 2021 | 402-49-3

Formula: C8H6BrF3, 4-Trifluoromethylbenzyl bromide is a useful research compound. Its molecular formula is C8H6BrF3 and its molecular weight is 239.03 g/mol. The purity is usually 95%.
4-Trifluoromethylbenzyl bromide is a choline derivative that acts as an anticancer agent. It is structurally similar to the anticancer drug doxorubicin, which has been shown to be effective against breast cancer and leukemia. 4-Trifluoromethylbenzyl bromide interacts with cellular proteins, including choline kinase, and inhibits the mitochondrial pathway. This leads to cell death through apoptosis. The molecule also interacts with nucleotide bases such as thymine and cytosine in DNA, inhibiting transcription and replication. 4-Trifluoromethylbenzyl bromide binds strongly to the hydroxyl group of cholesterol by an electrophilic substitution mechanism to form a covalent bond with its hydroxy group. The molecule can also bind to chloride ions by an ionic bond., 402-49-3.

Dang, Xin;Lei, Shuwen;Luo, Shuhua;Hu, Yixin;Wang, Juntao;Zhang, Dongdong;Lu, Dan;Jiang, Faqin;Fu, Lei research published 《 Design, synthesis and biological evaluation of novel thiazole-derivatives as mitochondrial targeting inhibitors of cancer cells》, the research content is summarized as follows. Mitochondria are pivotal energy production sources for cells to maintain necessary metabolism activities. Targeting dysfunctional mitochondrial features has been a hotspot for mitochondrial-related disease researches. Investigation with cancerous mitochondrial metabolism is a continuing concern within tumor therapy. Herein, we set out to assess the anti-cancer activities of a novel family of TPP-thiazole derivatives based on our earlier research on mitochondrial targeting agents. Specifically, we designed and synthesized a series of TPP-thiazole derivatives and revealed by the MTT assay that most synthesized compounds effectively inhibited three cancer cell lines (HeLa, PC3 and MCF-7). After structure modifications, we explored the SAR relationships and identified the most promising compound R13 (IC50 of 5.52μM) for further investigation. In the meantime, we performed ATP production assay to assess the selected compounds inhibitory effect on HeLa cells energy production The results displayed the test compounds significantly restrained ATP production of cancer cells. Overall, we have designed and synthesized a series of compounds which exhibited significant cytotoxicity against cancer cells and effectively inhibited mitochondrial energy production

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ciccone, Lidia team published research on Pharmaceutical Chemistry Journal in 2022 | 402-49-3

SDS of cas: 402-49-3, 4-Trifluoromethylbenzyl bromide is a useful research compound. Its molecular formula is C8H6BrF3 and its molecular weight is 239.03 g/mol. The purity is usually 95%.
4-Trifluoromethylbenzyl bromide is a choline derivative that acts as an anticancer agent. It is structurally similar to the anticancer drug doxorubicin, which has been shown to be effective against breast cancer and leukemia. 4-Trifluoromethylbenzyl bromide interacts with cellular proteins, including choline kinase, and inhibits the mitochondrial pathway. This leads to cell death through apoptosis. The molecule also interacts with nucleotide bases such as thymine and cytosine in DNA, inhibiting transcription and replication. 4-Trifluoromethylbenzyl bromide binds strongly to the hydroxyl group of cholesterol by an electrophilic substitution mechanism to form a covalent bond with its hydroxy group. The molecule can also bind to chloride ions by an ionic bond., 402-49-3.

Ciccone, Lidia;Nencetti, Susanna;Camodeca, Caterina;Ortore, Gabriella;Cuffaro, Doretta;Socci, Simone;Orlandini, Elisabetta research published 《 Synthesis and Evaluation of Monoaryl Derivatives as Transthyretin Fibril Formation Inhibitors》, the research content is summarized as follows. Here, the synthesis of new 2-((benzyloxy)imino)acetic, -propanoic and -butanoic acid derivatives, RCH₂ON=C(R¹)C(O)OH (R = 2-chlorophenyl, 4-methoxyphenyl, 2,4-dichlorophenyl, etc.; R¹ = H, Me, Et) results of their turbidimetric UV assay and the docking study of new monoaryl compounds were reported. The obtained results suggest that, for this class of compounds, (i) the chlorine atom in ortho position on the aromatic ring is the best substituent; (ii) the linker inversion still allows the interaction with thyroxine binding sites; and (iii) the steric hindrance in R1 position is detrimental for the activity.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Liu Zeng team published research on Journal of Medicinal Chemistry in 2021 | 402-49-3

A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. 402-49-3, formula is C8H6BrF3, Name is 1-(Bromomethyl)-4-(trifluoromethyl)benzene. Organobromine compounds have fallen under increased scrutiny for their environmental impact., Recommanded Product: 1-(Bromomethyl)-4-(trifluoromethyl)benzene.

Chen, Liu Zeng;Zhang, Xing Xing;Liu, Ming Ming;Wu, Jing;Ma, Duo;Diao, Liang Zhuo;Li, Qingshan;Huang, Yan Shuang;Zhang, Rui;Ruan, Ban Feng;Liu, Xin Hua research published 《 Discovery of Novel Pterostilbene-Based Derivatives as Potent and Orally Active NLRP3 Inflammasome Inhibitors with Inflammatory Activity for Colitis》, the research content is summarized as follows. Studies have shown that the abnormal activation of the NLRP3 inflammasome is involved in a variety of inflammatory-based diseases. In this study, a high content screening model targeting the activation of inflammasome was first established and pterostilbene was discovered as the active scaffold. Based on this finding, total of 50 pterostilbene derivatives were then designed and synthesized. Among them, compound 47 was found to be the best one for inhibiting cell pyroptosis [inhibitory rate (IR) = 73.09% at 10μM], showing low toxicity and high efficiency [against interleukin-1β (IL-1β): half-maximal inhibitory concentration (IC₅₀) = 0.56μM]. Further studies showed that compound 47 affected the assembly of the NLRP3 inflammasomes by targeting NLRP3. The in vivo biol. activity showed that this compound significantly alleviated dextran sodium sulfate (DSS)-induced colitis in mice. In general, our study provided a novel lead compound directly targeting the NLRP3 protein, which is worthy of further research and structural optimization.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chao, Rong team published research on Marine Drugs in 2022 | 402-49-3

Organobromine compounds, also called organobromides, are organic compounds that contain carbon bonded to bromine. 402-49-3, formula is C8H6BrF3, The most pervasive is the naturally produced bromomethane. Related Products of 402-49-3

Chao, Rong;Said, Gulab;Zhang, Qun;Qi, Yue-Xuan;Hu, Jie;Zheng, Cai-Juan;Zheng, Ji-Yong;Shao, Chang-Lun;Chen, Guang-Ying;Wei, Mei-Yan research published 《 Design, Semisynthesis, Insecticidal and Antibacterial Activities of a Series of Marine-Derived Geodin Derivatives and Their Preliminary Structure-Activity Relationships》, the research content is summarized as follows. To enhance the biol. activity of the natural product geodin isolated from the marine-derived fungus Aspergillus sp., a series of new ether derivatives I [R = Et, 2-bromobenzyl, 2-chlorobenzyl, etc.] was designed and semisynthesized using a high-yielding one-step reaction. In addition, the insecticidal and antibacterial activities of all geodin congeners I were evaluated systematically. Most of these derivatives I showed better insecticidal activities against Helicoverpa armigera Hubner than Geodin. In particular, I [R = 2,3,4,5-tetrafluorobenzyl] showed potent insecticidal activity with an IC₅₀ value of 89μM, comparable to the pos. control azadirachtin (IC₅₀ = 70μM). Addnl., I [R = 2-chlorobenzyl, 2-fluorobenzyl, 3,5-difluorobenzyl, 2,3,4-trifluorobenzyl, 4-cyanobenzyl and 2-fluoro-3-chlorobenzyl] showed strong antibacterial activity against Staphylococcus aureus and Aeromonas salmonicida with MIC values in the range of 1.15-4.93μM. The preliminary structure-activity relationships indicated that the introduction of halogenated benzyl especially fluorobenzyl, into geodin and substitution of 4-OH was a key factors in increasing the insecticidal and antibacterial activities of geodin.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary