Tag: M.W=150-200

Liang, Hanzhi; Zhu, Yue; Zhao, Zhiyuan; Du, Jintong; Yang, Xinying; Fang, Hao; Hou, Xuben published the artcile< Structure-based design of 2-aminopurine derivatives as CDK2 inhibitors for triple-negative breast cancer>, Recommanded Product: 4-Bromobenzylamine, the main research area is triple neg breast cancer cyclin dependent kinase 2 2aminopurine; CDK2 inhibitor; anticancer; purine; structure-based drug design; triple-negative breast cancer.

Cyclin-dependent kinase 2 (CDK2) regulates the progression of the cell cycle and is critically associated with tumor growth. Selective CDK2 inhibition provides a potential therapeutic benefit against certain tumors. Purines and related heterocycle (e.g., R-Roscovitine) are important scaffolds in the development of CDK inhibitors. Herein, we designed a new series of 2-aminopurine derivatives based on the fragment-centric pocket mapping anal. of CDK2 crystal structure. Our results indicated that the introduction of polar substitution at the C-6 position of purine would be beneficial for CDK2 inhibition. Among them, compound 11I showed good CDK2 inhibitory activity (IC50 = 19 nM) and possessed good selectivity against other CDKs. Further in vitro tests indicated that compound 11l possesses anti-proliferation activity in triple-neg. breast cancer (TNBC) cells. Moreover, mol. dynamics simulation suggested the favorable binding mode of compound 11l, which may serve as a new lead compound for the future development of CDK2 selective inhibitors.

Frontiers in Pharmacology published new progress about Antiproliferative agents. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Recommanded Product: 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Xiangjun; Li, Zezhuo; Zhang, Kaiyue; Zhao, Danfeng; Huang, Xiubing published the artcile< Thermo-Enhanced Photocatalytic Activity in Aerobic Oxidative Coupling of Amines to Imines over Cu-Doped MIL-125-NH2>, Reference of 3959-07-7, the main research area is metal organic framework benzylamine oxidative coupling photocatalyst.

Photocatalytic oxidation of raw organic mols. to value-added chems. provides a cost-effective and sustainable strategy in organic synthesis. In this work, a series of Cu-doped MIL-125-NH2 with narrower band gaps were synthesized by a one-pot hydrothermal method and used as photocatalysts for thermo-enhanced aerobic oxidative coupling of amines to imines under visible light irradiation With optimal doping content, the conversion of benzylamine over MIL-125-NH2/Cu2% can reach 100% at 60°C under visible light irradiation for 8 h using mol. oxygen as oxidant. It is proved that doping MIL-125-NH2 with a suitable Cu content can broaden the visible light absorption range, promote the separation of photo-induced charge carriers and improve the photocatalytic performance. Moreover, the increase of reaction temperature of the photocatalytic system promotes the performance. Free radical capture experiments and ESR tests show that holes and superoxide free radicals are the main active species. Such an excellent photocatalytic performance can be attributed to the strong light absorption and more efficient electron-hole separation efficiency via the Cu-doping strategy in MIL-125-NH2 catalysts.

Asian Journal of Organic Chemistry published new progress about Metal-organic frameworks. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Reference of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Liu Zeng; Shu, Hai Yang; Wu, Jing; Yu, Yun Long; Ma, Duo; Huang, Xin; Liu, Ming Ming; Liu, Xin Hua; Shi, Jing Bo published the artcile< Discovery and development of novel pyrimidine and pyrazolo/thieno-fused pyrimidine derivatives as potent and orally active inducible nitric oxide synthase dimerization inhibitor with efficacy for arthritis>, Application In Synthesis of 3959-07-7, the main research area is pyrazolopyrimidine thienopyrimidine preparation SAR antiinflammatory iNOS inhibitor arthritis; Anti-inflammatory activity; Arthritis; Drug-like properties; Thieno[3,2-d]pyrimidine; iNOS inhibitory activity.

In order to discover and develop drug-like anti-inflammatory agents against arthritis, based on “”Hit”” authours found earlier and to overcome drawbacks of toxicity, twelve series of total 89 novel pyrimidine, pyrazolo[4,3-d]pyrimidine and thieno[3,2-d]pyrimidine derivatives were designed, synthesized and screened for their anti-inflammatory activity against NO and toxicity for normal liver cells (LO2). Relationships of balance toxicity and activity have been summarized through multi-steps, and title compounds (E)-N-(4-methylbenzyl)-2-(3,4,5-trimethoxystyryl)thieno[3,2-d]pyrimidin-4-amine, (E)-4-((2-(3,4,5-trimethoxystyryl)thieno[3,2-d]pyrimidin-4-yl)amino)phenol were found to show lower toxicity (against LO2: IC50 = 2934, 2301μM, resp.) and potent effect against NO release (IR = 98.3, 97.67%, at 10μM, resp.). Furthermore, compound (E)-N-(4-methylbenzyl)-2-(3,4,5-trimethoxystyryl)thieno[3,2-d]pyrimidin-4-amine showed potent iNOS inhibitory activity with value of IC50 is 0.96μM and could interfere stability and formation of the active dimeric iNOS. It’s anti-inflammatory activity in vivo was assessed by AIA rat model. Furthermore, the results of metabolic stability, CYP, PK study in vivo, acute toxicity study and subacute toxicity assessment indicated this compound had good drug-like properties for treatment.

European Journal of Medicinal Chemistry published new progress about Anti-inflammatory agents. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Application In Synthesis of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shan, Chao; Xu, Jinping; Cao, Liming; Liang, Chaoming; Cheng, Ruihua; Yao, Xiantong; Sun, Maolin; Ye, Jinxing published the artcile< Rapid Synthesis of α-Chiral Piperidines via a Highly Diastereoselective Continuous Flow Protocol>, Related Products of 576-83-0, the main research area is chiral piperidine preparation diastereoselective; butylsulfinyl imine Grignard reagent debromocyclization continuous flow.

A practical continuous flow protocol has been developed using readily accessible N-(tert-butylsulfinyl)-bromoimine and Grignard reagents, providing various functionalized piperidines (34 examples) in superior results (typically >80% yield and with >90:10 dr) within minutes. The high-performance scale-up is smoothly carried out, and efficient synthesis of the drug precursor further showcases its utility. This flow process offers rapid and scalable access to enantioenriched α-substituted piperidines.

Organic Letters published new progress about Cyclization (debromo-). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Related Products of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Vasu, Amrutham; Naresh, Mameda; Krishna Sai, Gajula; Divya Rohini, Yennamaneni; Murali, Boosa; Ramulamma, Madasu; Ramunaidu, Addipilli; Narender, Nama published the artcile< A heterogeneous catalytic strategy for facile production of benzimidazoles and quinoxalines from primary amines using the Al-MCM-41 catalyst>, COA of Formula: C7H8BrN, the main research area is benzimidazole preparation; quinoxaline preparation; amine phenylenediamine oxidative cross coupling aluminum MCM catalyst.

This study reported a straightforward heterogeneous catalytic (Al-MCM-41) approach to synthesize benzimidazoles I [R = n-Pr, cyclohexyl, Ph, etc.; R1 = H, 5-Me, 5,6-di-Cl, etc.; R2 = H, Bn, CH2CH2Ph] and quinoxalines II [R3 = H, 6-Me, 6-Br, etc.; R4 = H, 4-MeC6H4, 4-ClC6H4, etc.] from primary amines under solvent-free conditions. The Al-MCM-41 catalyst was prepared using a hydrothermal method and characterized by various anal. techniques. The probability and limitations of the catalytic methodol. were presented with various substrates. The catalytic method grants an attractive route to a wide variety of benzimidazole and quinoxaline moieties with good to excellent yields. The gram scale reaction and reusability (up to five cycles) of the Al-MCM-41 catalyst would greatly benefit industrial applications.

Green Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, COA of Formula: C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yang, Tianbao; Lu, Huiai; Qiu, Renhua; Hong, Ling; Yin, Shuang-Feng; Kambe, Nobuaki published the artcile< Photocatalyst-free Synthesis of Indazolones under CO2 Atmosphere>, Safety of 4-Bromobenzylamine, the main research area is indazolone dihydro preparation green chem anticancer activity; amine nitroaryl methanol heterocyclization; anticancer; indazolones; metal-free; photocatalyst-free; synthetic methods.

A convenient photocatalyst-free method for the synthesis of redox-active 1,2-dihydro-3H-indazol-3-one derivatives I (R = benzyl, thiophen-2-ylmethyl, cyclopropylmethyl, iso-Pr, etc.; R1 = H, Br, 3-methylphenyl, 4-methoxyphenyl, naphth-1-yl, furan-3-yl, thiophen-3-yl; R2 = H, Cl) from (2-nitroaryl)methanols 2-O2N-4-R1-5-R2C6H2CH2OH and amines RNH2 was developed. The reaction proceeded efficiently at room temperature by irradiation of UV light under CO2 atmosphere (1.0 atm, flow) without any photocatalysts or additives. This mild, operationally simple method shows wide functional tolerance. The carbamate formed in situ from CO2 and amine is proposed to be the key of this reaction. Some of these compounds synthesized by the present method were found to exhibit high anticancer activities, which can lower the viability of cancerous cell lines such as HeLa, MCF-7 and U87.

Chemistry – An Asian Journal published new progress about Antitumor agents. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Safety of 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Strekalova, Sofia; Kononov, Alexander; Budnikova, Yulia published the artcile< Amino acids in electrochemical metal-free benzylic C-H amidation>, Recommanded Product: 2,4,6-Trimethylbromobenzene, the main research area is amide preparation; amino acid arene electrochem CH amidation.

This report described the mild electrochem. metal-, oxidant-, additive-free site-selective direct C-H amidation of benzyl C(sp3)-H bonds in an undivided cell using α-amino acids as a source of an amide bond moiety. Practically significant amides RCH2NHC(O)R1 [R = Ph, 3-MeC6H4, 4=BrC6H4; R1 = Me, i-Pr, Ph] were obtained under electrochem. mild one-pot conditions (without strong external oxidants, at room temperature), with total yields up to 73%. This electrochem. approach featured a functional selectivity and a broad scope of substrates with benzyl bond and different amino acids.

Tetrahedron Letters published new progress about Amidation. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Recommanded Product: 2,4,6-Trimethylbromobenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ling, Johanne; Bruneau-Voisine, Antoine; Journot, Guillaume; Evano, Gwilherm published the artcile< Copper-Catalyzed Carbonylative Cross-Coupling of Alkyl Iodides and Amines>, SDS of cas: 3959-07-7, the main research area is amide preparation; alkyl iodide amine carbon monoxide carbonylative cross coupling copper; amides; carbon monoxide; carbonylation; copper catalysis; cross-coupling.

A general copper-catalyzed carbonylative cross-coupling between amines and alkyl iodides was reported to form amides RC(O)NR1R2 [R = Cy, i-Pr, CH(Et)2, etc.; R1 = H, Me, R2 = n-hexyl, CH2Bn, t-Bu, etc.]. Using a simple combination of catalytic amounts of copper(I) chloride and N,N,N’;N””,N””-pentamethyldiethylenetriamine in the presence of sodium hydroxide under carbon monoxide pressure, a broad range of alkyl iodides and amines can be efficiently coupled to the corresponding amides that are obtained in good to excellent yields. Notable features of this process were the first one relying on a base metal catalyst, includeed the availability and low cost of the catalytic system, its successful use with primary, secondary, tertiary alkyl iodides and all classes of amines with no or limited competing nucleophilic substitution without CO incorporation as well as its efficiency with complex alkyl iodides and amines. Mechanistic studies demonstrated that a radical pathway is operative and the key role of CO.

Chemistry – A European Journal published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, SDS of cas: 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Huiqiong; Feng, Huangdi; Wang, Fang; Huang, Liliang published the artcile< Carboxyl Transfer of α-Keto Acids toward Oxazolidinones via Decarboxylation/Fixation of Liberated CO2>, Safety of 4-Bromobenzylamine, the main research area is copper catalyst carboxyl transfer alpha keto acid decarboxylation fixation; liberated carbon dioxide decarboxylation; oxazolidinone preparation.

A novel strategy for the direct carboxyl transfer involving a decarboxylative A3 reaction of α-keto acids, primary amines, and alkynes has been developed under a Cu(I)/Cu(II) binary catalysis system. This multicomponent reaction provides a facile and efficient approach for the production of a diverse range of 2-oxazolidinones in moderate to excellent yields through a one-pot CO2 elimination-fixation procedure. The conciseness of the “”CO2 recycling”” process makes this ideal synthesis superior over classical CO2 utilization.

Journal of Organic Chemistry published new progress about Alkynes, α- Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Safety of 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lu, Ru-Qiang; Wu, Shuang; Yang, Lin-Lin; Gao, Wen-Bin; Qu, Hang; Wang, Xiao-Ye; Chen, Jun-Bo; Tang, Chun; Shi, Hai-Yan; Cao, Xiao-Yu published the artcile< Stable Diindeno-Fused Corannulene Regioisomers with Open-Shell Singlet Ground States and Large Diradical Characters>, Related Products of 576-83-0, the main research area is diindeno corannulene regioisomer singlet triplet diradical crystal structure; corannulene; macrocycles; polycycles; radicals; structure elucidation.

The synthesis of open-shell polycyclic hydrocarbons with large diradical characters is challenging because of their high reactivities. Herein, two diindeno-fused corannulene regioisomers DIC-1 and DIC-2, curved fragments of fullerene C104, were synthesized that exhibit open-shell singlet ground states. The incorporation of the curved and non-alternant corannulene moiety within diradical systems leads to significant diradical characters as high as 0.98 for DIC-1 and 0.89 for DIC-2. Such high diradical characters can presumably be ascribed to the re-aromatization of the corannulene π system. Although the DIC compounds have large diradical characters, they display excellent stability under ambient conditions. The half-lives are 37 days for DIC-1 and 6.6 days for DIC-2 in solution This work offers a new design strategy towards diradicaloids with large diradical characters yet maintain high stability.

Angewandte Chemie, International Edition published new progress about Acylation, regioselective. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Related Products of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary