Tag: 200-300

Category: bromides-buliding-blocksIn 2020 ,《Synthesis and Characterization of a Series of Sulfamethazine Multicomponent Crystals with Various Benzoic Acids》 was published in Crystal Growth & Design. The article was written by Scheepers, Matthew C.; Lemmerer, Andreas. The article contains the following contents:

Nine multi-component crystals consisting of sulfamethazine (sz) with HOBz and its derivatives were synthesized and characterized. Eight of the 9 multi-component crystals are co-crystals, while 1 is a mol. salt. The co-formers used to form multi-component crystals with sz include: 2-chloro-4-nitrobenzoic acid (2c4n), 2-chloro-5-nitrobenzoic acid (2c5n), salicylic acid (2hba), 3-hydroxybenzoic acid (3hba), 4-hydroxybenzoic acid (4hba), 4-bromobenzoic acid (4Brba), HOBz (ba), cinnamic acid (ca) and toluic acid (ta). These multi-component crystals were characterized by single-crystal x-ray diffraction (SC-XRD), Powder X-ray diffraction (PXRD) and Differential Scanning Calorimetry (DSC). SC-XRD showed that 8 of the co-formers that interacted with sz formed the amidine-carboxyl synthon; with the only exception to this were sz+4hba which formed the imidine-carboxyl synthon formed instead. PXRD confirmed that the single crystals were representative of the bulk material. DSC showed most of the multi-component crystals to have only a melting phase transition, which differed from the m.ps. of the co-formers. The only exceptions were sz+4brba and sz+ca, where an addnl. endothermic peak was observed, which corresponds to an amorphous phase transition before melting. In the experiment, the researchers used 4-Bromobenzoic acid(cas: 586-76-5Category: bromides-buliding-blocks)

4-Bromobenzoic acid(cas: 586-76-5) has been used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography. It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

SDS of cas: 2675-79-8In 2022 ,《Discovery of a Novel Stilbene Derivative as a Microtubule Targeting Agent Capable of Inducing Cell Ferroptosis》 was published in Journal of Medicinal Chemistry. The article was written by Zhou, Jingwei; Pang, Yanqing; Zhang, Weiwei; Fen, OuYang; Lin, Haibiao; Li, Xingshu; Yan, Jun. The article contains the following contents:

Microtubule targeting agents (MTAs) are used as clin. effective chemotherapies for cancer treatment but might be limited by the acquired or intrinsic resistance of cancer cells to apoptosis. The vulnerability of therapy-resistant cancers to ferroptosis provides an alternative way to overcome drug resistance. In this study, on the basis of the MTAs obtained in our previous studies, a series of MTAs were synthesized, and detailed structure-activity relationships were obtained through extensive mol. dynamics studies. Among them, a diphenylethene derivative, compound 33 (I), displayed the most potent activity in vitro and in vivo, with IC50 values of 10-50 nM toward six cancer cell lines and a 78.6% tumor growth inhibition in vivo. Interestingly, although it acted as the MTA, compound 33 triggered cell death mainly through cell ferroptosis rather than apoptosis, which might provide an alternative way to eradicate apoptosis-related drug resistance. The results came from multiple reactions, including the reaction of 1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8SDS of cas: 2675-79-8)

1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8) is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.SDS of cas: 2675-79-81-Bromo-3,4,5-trimethoxybenzene can be used to synthesize analogs of HA14-1, which shows promising anticancer properties.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Electric Literature of C5BrMnO5In 2021 ,《Manganese-Catalyzed Selective Hydrogenative Cross-Coupling of Nitriles and Amines to Form Secondary Imines》 was published in Advanced Synthesis & Catalysis. The article was written by Li, Xiao-Gen; Zhou, Qi-Lin. The article contains the following contents:

Manganese complexes with tridentate PNN ligands I (Ar = Ph, 3,5-dimethylphenyl; R = H, Cl, OMe, t-Bu, NMe2, etc.) have been synthesized as catalysts for hydrogenative cross-coupling reaction of nitriles R1CN (R1 = t-Bu, cyclohexyl, Ph, oxan-4-yl, 2H-1,3-benzodioxol-5-yl, etc.) and amines R2NH2 (R2 = heptyl, cyclohexyl, 4-phenylbutyl, 3-(morpholin-4-yl)propyl, etc.) to form secondary imines R1CH=NR2. This reaction afforded a variety of unsym. secondary imines in good yields with excellent selectivity. Investigation of catalyst intermediates indicated that an amido manganese complex may be the active catalyst species for this reaction. After reading the article, we found that the author used Bromopentacarbonylmanganese(I)(cas: 14516-54-2Electric Literature of C5BrMnO5)

Bromopentacarbonylmanganese(I)(cas: 14516-54-2) has many other uses. It is used in the formation of (eta6-arene)tricarbonylmanganese(I) by reacting with arene (arene= hexamethyl benzene, 1,2,4,5-tetramethyl benzene, mesitylene, p-xylene and toluene) in the presence silver salt.Electric Literature of C5BrMnO5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Recommanded Product: 623-24-5In 2020 ,《Probing the Electrostatic Barrier of Tetrathiafulvalene Dications using a Tetra-stable Donor-Acceptor [2]Rotaxane》 was published in Chemistry – A European Journal. The article was written by Jensen, Morten; Kristensen, Rikke; Andersen, Sissel S.; Bendixen, Dan; Jeppesen, Jan O.. The article contains the following contents:

A tetra-stable donor-acceptor [2]rotaxane 1·PF6 has been synthesized. The dumbbell component is comprised of an oxyphenylene (OP), a tetrathiafulvalene (TTF), a monopyrrolo-TTF (MPTTF), and a hydroquinone (HQ) unit, which can act as recognition sites (stations) for the tetra-cationic cyclophane cyclobis(paraquat-p-phenylene) (CBPQT4+). The TTF and the MPTTF stations are located in the middle of the dumbbell component and are connected by a triethylene glycol (TEG) chain in such a way that the pyrrole moiety of the MPTTF station points toward the TTF station, while the TTF and MPTTF stations are flanked by the OP and HQ stations on their left hand side and right hand side, resp. The [2]rotaxane was characterized in solution by 1H NMR spectroscopy and cyclic voltammetry. The spectroscopic data revealed that the majority (77%) of the tetra-stable [2]rotaxane 14+ exist as the translational isomer 1·MPTTF4+ in which the CBPQT4+ ring encircles the MPTTF station. The electrochem. studies showed that CBPQT in 1·MPTTF4+ undergoes ring translation as result of electrostatic repulsion from the oxidized MPTTF unit. Following tetra-oxidation of 1·MPTTF4+, a high-energy state of 18+ was obtained (i.e., 1·TEG8+) in which the CBPQT4+ ring was located on the TEG linker connecting the di-oxidized TTF2+ and MPTTF2+ units. 1H NMR spectroscopy carried out in CD3CN at 298 K on a chem. oxidized sample of 1·MPTTF4+ revealed that the metastable state 1·TEG8+ is only short-lived with a lifetime of a few minutes and it was found that 70% of the pos. charged CBPQT4+ ring moved from 1·TEG8+ to the HQ station, while 30% moved to the much weaker OP station. These results clearly demonstrate that the CBPQT4+ ring can cross both an MPTTF2+ and a TTF2+ electrostatic barrier and that the free energy of activation required to cross MPTTF2+ is ca. 0.5 kcal mol-1 smaller as compared to TTF2+. The experimental part of the paper was very detailed, including the reaction process of 1,4-Bis(bromomethyl)benzene(cas: 623-24-5Recommanded Product: 623-24-5)

1,4-Bis(bromomethyl)benzene(cas: 623-24-5) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. Recommanded Product: 623-24-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Related Products of 14660-52-7In 2019 ,《Design, Synthesis, and Biological Evaluation of 4-Methyl Quinazoline Derivatives as Anticancer Agents Simultaneously Targeting Phosphoinositide 3-Kinases and Histone Deacetylases》 appeared in Journal of Medicinal Chemistry. The author of the article were Zhang, Kehui; Lai, Fangfang; Lin, Songwen; Ji, Ming; Zhang, Jingbo; Zhang, Yan; Jin, Jing; Fu, Rong; Wu, Deyu; Tian, Hua; Xue, Nina; Sheng, Li; Zou, Xiaowen; Li, Yan; Chen, Xiaoguang; Xu, Heng. The article conveys some information:

Polypharmacol. is a promising paradigm in modern drug discovery. Herein, we have discovered a series of novel PI3K and HDAC dual inhibitors in which the hydroxamic acid moiety as the zinc binding functional group was introduced to a quinazoline-based PI3K pharmacophore through an appropriate linker. Systematic structure-activity relationship studies resulted in lead compounds 23 (shown in graphical abstract and duplicated as I) and 36 (II) that simultaneously inhibited PI3K and HDAC with nanomolar potencies and demonstrated favorable antiproliferative activities. Compounds 23 and 36 efficiently modulated the expression of p-AKT and Ac-H3, arrested the cell cycle, and induced apoptosis in HCT116 cancer cells. Following pharmacokinetic studies, 23 was further evaluated in HCT116 and HGC-27 xenograft models to show significant in vivo anticancer efficacies with tumor growth inhibitions of 45.8% (po, 150 mg/kg) and 62.6% (i.p., 30 mg/kg), resp. Overall, this work shows promise in discovering new anticancer therapeutics by the approach of simultaneously targeting PI3K and HDAC pathways with a single mol. In the experimental materials used by the author, we found Ethyl 5-bromovalerate(cas: 14660-52-7Related Products of 14660-52-7)

Ethyl 5-bromovalerate(cas: 14660-52-7) belongs to bromides. 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.Related Products of 14660-52-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Application of 14660-52-7In 2020 ,《Multitarget Compounds for Bipolar Disorder: From Rational Design to Preliminary Pharmacokinetic Evaluation》 appeared in ChemMedChem. The author of the article were Di Martino, Rita Maria Concetta; Bottegoni, Giovanni; Seghetti, Francesca; Russo, Debora; Penna, Ilaria; De Simone, Alessio; Ottonello, Giuliana; Mandrup Bertozzi, Sine; Armirotti, Andrea; Bandiera, Tiziano; Belluti, Federica; Cavalli, Andrea. The article conveys some information:

Due to the complex and multifactorial nature of bipolar disorder (BD), single-target drugs have traditionally provided limited relief with no disease-modifying effects. In line with the polypharmacol. paradigm, we attempted to overcome these limitations by devising two series of multitarget-directed ligands endowed with both a partial agonist profile at dopamine receptor D3 (D3R) and inhibitory activity against glycogen synthase kinase 3 beta (GSK-3β). These are two structurally unrelated targets that play independent, yet connected, roles in cognition and mood regulation. Two compounds (7 and 10) emerged as promising D3R/GSK-3β multitarget-directed ligands with nanomolar activity at D3R and low-micromolar inhibition of GSK-3β, thereby confirming, albeit preliminarily, the feasibility of our strategy. Furthermore, 7 showed promising drug-like properties in stability and pharmacokinetic studies. In the experiment, the researchers used Ethyl 5-bromovalerate(cas: 14660-52-7Application of 14660-52-7)

Ethyl 5-bromovalerate(cas: 14660-52-7) belongs to bromides. 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.Application of 14660-52-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Wang, Tianyu; Cai, Shi; Cheng, Yao; Zhang, Wanheng; Wang, Minmin; Sun, Huiyong; Guo, Binghua; Li, Zheng; Xiao, Yibei; Jiang, Sheng published an article in Journal of Medicinal Chemistry. The title of the article was 《Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation》.Recommanded Product: 76006-33-2 The author mentioned the following in the article:

Several monoclonal antibodies targeting the programmed cell death-1/programmed cell death-ligand 1 (PD-1/PD-L1) pathway have been used successfully in anticancer immunotherapy. Inherent limitations of antibody-based therapies remain, however, and alternative small-mol. inhibitors that can block the PD-1/PD-L1 axis are urgent needed. Herein, we report the discovery of compound 17 as a bifunctional inhibitor of PD-1/PD-L1 interactions. 17 inhibits PD-1/PD-L1 interactions and promotes dimerization, internalization, and degradation of PD-L1. 17 promotes cell-surface PD-L1 internalized into the cytosol and induces the degradation of PD-L1 in tumor cells through a lysosome-dependent pathway. Furthermore, 17 suppresses tumor growth in vivo by activating antitumor immunity. These results demonstrate that 17 targets the PD-1/PD-L1 axis and induces PD-L1 degradation The results came from multiple reactions, including the reaction of 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2Recommanded Product: 76006-33-2)

3-Bromo-2-methylbenzoic acid(cas: 76006-33-2) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Recommanded Product: 76006-33-2 Alkyl bromides are mainly used as alkylating agents and also find application as a solvent to extract oil from seeds and wool.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Ohshita, Joji; Ohta, Akiyoshi; Saadom, Siti Zulaikha Binti; Adachi, Yohei; Murakami, Hideki; Haino, Takeharu published an article in Polymer Journal (Tokyo, Japan). The title of the article was 《Synthesis and optical properties of disiloxane-linked decathiophene and dodecathiophene polymers》.Name: 2,5-Dibromothiophene The author mentioned the following in the article:

Disiloxane-linked decathiophene and dodecathiophene polymers were prepared and their optical properties were examined Compared with the monosilane-linked congeners reported previously, these polymers showed slightly red shifted absorption and PL bands in solution Interestingly, the PL bands were red shifted when the spectra were measured in film, and the red shifts became pronounced as the silicon linkers were elongated from monosilane to disiloxane. This is likely due to the enhanced aggregation of the oligothiophene units, reflecting the improved flexibility of the silicon linkers. After reading the article, we found that the author used 2,5-Dibromothiophene(cas: 3141-27-3Name: 2,5-Dibromothiophene)

2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene may be used in the preparation of soluble α,ω-diformyl-a-oligothiophenes.Name: 2,5-Dibromothiophene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Cheng, Yingjie; Qu, Zhonghua; Chen, Shiru; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen published an article in Advanced Synthesis & Catalysis. The title of the article was 《Visible-Light-Induced Photoredox 1,1-Dichloromethylation of Alkenes with Chloroform》.Reference of 3,5-Dibromoaniline The author mentioned the following in the article:

A photoredox 1,1-dichloromethylation of alkenes RC(O)C(R1)=CHR2 (R = propylamino, anilino, 2,3-dihydroindol-1-yl, etc.) with the readily available bulk chem. chloroform was described, furnishing a variety of 1,1-dichloroalkane products RC(O)C(R1)C(R2)(CHCl2) selectively. Furthermore, this transformation could proceed smoothly on gram-scale, and the obtained products could transform into diverse γ-lactam derivatives such as 3-methyl-1-phenyl-1H-pyrrol-2(5H)-one, 5-methoxy/5-hydroxy-3-methyl-1-phenylpyrrolidin-2-one with simple treatment. Mechanistically, the single electron transfer (SET) with excited photocatalyst and subsequent deprotonation of triethylamine generates the key α-aminoradical intermediate, which enables selective Cl-atom transfer of chloroform. The specific selectivity, broad substrate scope, as well as the mild reaction conditions make this strategy especially attractive. After reading the article, we found that the author used 3,5-Dibromoaniline(cas: 626-40-4Reference of 3,5-Dibromoaniline)

3,5-Dibromoaniline(cas: 626-40-4) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).Reference of 3,5-Dibromoaniline

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Qianqian; Huo, Suhong; Meng, Lingpeng; Li, Xiaoyan published an article in 2022. The article was titled 《Mechanism and origin of the stereoselectivity of manganese-catalyzed hydrosilylation of alkynes: a DFT study》, and you may find the article in Catalysis Science & Technology.Recommanded Product: Bromopentacarbonylmanganese(I) The information in the text is summarized as follows:

The manganese-catalyzed hydrosilylation reaction provides a powerful platform to synthesize organosilicon compounds due to their rich reserves, low toxicity, and promising novel reactivity. In this work, the detailed mechanisms of the manganese-catalyzed hydrosilylation of alkynes using the mononuclear Mn(CO)5Br and binuclear Mn2(CO)10 have been systematically investigated and compared by DFT calculations The mononuclear Mn(CO)5Br-catalyzed hydrosilylation of alkynes belongs to an organometallic mechanism. The computational results indicate that the proposed organometallic catalytic cycle in the early literature cannot completely explain the exptl. results due to the high energy barrier involved. A novel catalytic mechanism, in which the CO firstly dissociates from Mn(CO)4BrL, provides an explanation to the studied reaction. E-pro is the main product of the mononuclear Mn(CO)5Br-catalyzed hydrosilylation of alkynes. Meanwhile, the Mn2(CO)10-catalyzed cycle occurs via radical mechanism, and Z-pro is obtained due to the steric effect. In both mononuclear Mn(CO)5Br and binuclear Mn2(CO)10-catalyzed cycles, the substituted alkyne addition process is the rate-determining step. Our calculated results provide deep insight into and amend the mechanistic details for the significant manganese-catalyzed hydrosilylation of alkyne, which is expected to be informative for the effective utilization of Mn catalysts and stereoselective control of alkyne functionalization reactions. In addition to this study using Bromopentacarbonylmanganese(I), there are many other studies that have used Bromopentacarbonylmanganese(I)(cas: 14516-54-2Recommanded Product: Bromopentacarbonylmanganese(I)) was used in this study.

Bromopentacarbonylmanganese(I)(cas: 14516-54-2) has many other uses. It is used in the formation of (eta6-arene)tricarbonylmanganese(I) by reacting with arene (arene= hexamethyl benzene, 1,2,4,5-tetramethyl benzene, mesitylene, p-xylene and toluene) in the presence silver salt.Recommanded Product: Bromopentacarbonylmanganese(I)

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary