Tag: M.W=200-250

Li, Wenjun; Li, Xin; Ye, Tingting; Wu, Wenbin; Liang, Xinmiao; Ye, Jinxing published the artcile< Asymmetric organocatalytic Michael/α-alkylation reaction of α,β-unsaturated aldehyde with chloroacetophenone>, Category: bromides-buliding-blocks, the main research area is unsaturated aldehyde chloroacetophenone Jorgensen Hayashi catalyst asym Michael alkylation; cyclopropanecarboxaldehyde stereoselective preparation.

Asym. organocatalytic Michael/α-alkylation reactions of α,β-unsaturated aldehydes with chloroacetophenones have been developed. The biol. useful cyclopropane motifs, e.g. I, were synthesized with high yields and up to >99% ee, >30:1 dr through Jorgensen-Hayashi catalyst under mild conditions.

Tetrahedron Letters published new progress about Alkylation catalysts, stereoselective. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yu, Peng; Hu, Jun; Wan, Rong; Li, Xi; Zheng, Shanlong; Xu, Yanhua published the artcile< Synthesis of N-(5-aryl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide derivatives promoted by carbodiimide condensation>, HPLC of Formula: 16426-64-5, the main research area is benzoic acid thiosemicarbazide heterocyclization; thiadiazole preparation single crystal benzisothiazolinone condensation carbodiimide catalyst; acetamide preparation.

Novel N-(5-aryl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide derivatives I [R = H, 3-CH3, 4-Cl, 2-Br, etc.] were prepared by 2-amino-5-substituted phenyl-1,3,4-thiadiazole and 2-(3-oxo-1,2-benzothiazol-2(3H)-yl) acetic acid condensation catalysis in a convenient and fast method. The intermediate compound 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine was confirmed by single-crystal X-ray diffraction.

Journal of Chemical Research published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, HPLC of Formula: 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liu, Xiangyu; Kaindl, Jonas; Korczynska, Magdalena; Stossel, Anne; Dengler, Daniela; Stanek, Markus; Hubner, Harald; Clark, Mary J.; Mahoney, Jake; Matt, Rachel Ann; Xu, Xinyu; Hirata, Kunio; Shoichet, Brian K.; Sunahara, Roger K.; Kobilka, Brian K.; Gmeiner, Peter published the artcile< An allosteric modulator binds to a conformational hub in the β2 adrenergic receptor>, Related Products of 20776-50-5, the main research area is beta 2 adrenergic receptor allosteric modulator agonists binding site.

Abstract: Most drugs acting on G-protein-coupled receptors target the orthosteric binding pocket where the native hormone or neurotransmitter binds. There is much interest in finding allosteric ligands for these targets because they modulate physiol. signaling and promise to be more selective than orthosteric ligands. Here we describe a newly developed allosteric modulator of the β2-adrenergic receptor (β2AR), AS408, that binds to the membrane-facing surface of transmembrane segments 3 and 5, as revealed by X-ray crystallog. AS408 disrupts a water-mediated polar network involving E1223.41 and the backbone carbonyls of V2065.45 and S2075.46. The AS408 binding site is adjacent to a previously identified mol. switch for β2AR activation formed by I3.40, P5.50 and F6.44. The structure reveals how AS408 stabilizes the inactive conformation of this switch, thereby acting as a neg. allosteric modulator for agonists and pos. allosteric modulator for inverse agonists. [graphic not available: see fulltext].

Nature Chemical Biology published new progress about Allosteric modulators. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Related Products of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lu, Dehua; Qu, Lailiang; Wang, Cheng; Luo, Heng; Li, Shang; Yin, Fucheng; Liu, Xingchen; Chen, Xinye; Luo, Zhongwen; Cui, Ningjie; Peng, Wan; Ji, Limei; Kong, Lingyi; Wang, Xiaobing published the artcile< Harmine-based dual inhibitors targeting histone deacetylase (HDAC) and DNA as a promising strategy for cancer therapy>, Safety of Methyl 4-(bromomethyl)-3-fluorobenzoate, the main research area is cancer therapy histone deacetylase harmine DNA damage; Cancer; DNA; DNA damage; HDAC; Harmine.

Overexpression of histone deacetylases (HDACs) are observed in different types of cancers, but histone deacetylase inhibitors (HDACIs) have not shown significant efficacy as monotherapy against solid tumors. Recently, studies demonstrated that it is promising to combine HDACIs with DNA damage agents to improve DNA damage level to gain better effect on treating solid tumor. Harmine has been demonstrated to cause DNA damage by intercalating DNA. Therefore, we designed a series of harmine-based inhibitors targeting HDAC and DNA with multi-target strategy, the most potential compound 27 could bind to DNA and cause DNA damage. Furthermore 27 caused cells apoptosis through p53 signaling pathway, and exhibited significant anti-proliferation effects against HCT-116 cells (IC50 = 1.41 μM). As a DNA damage agent, 27 displayed low toxicity in normal cells. Compound 27 was demonstrated as a dual inhibitor targeting HDAC (HDAC1 IC50 = 0.022 μM and HDAC6 IC50 = 0.45 μM) and DNA, and had the potential in the treatment of solid tumor.

Bioorganic Chemistry published new progress about Acetylation. 128577-47-9 belongs to class bromides-buliding-blocks, and the molecular formula is C9H8BrFO2, Safety of Methyl 4-(bromomethyl)-3-fluorobenzoate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ling, Bo; Yang, Wenjun; Wang, Yan-En; Mao, Jianyou published the artcile< Cooperative N-Heterocyclic Carbene/Palladium-Catalyzed Umpolung 1,4-Addition of Vinyl Bromides to Enals>, Related Products of 3893-18-3, the main research area is unsaturated carbonyl preparation cooperative catalyzed addition vinyl bromide enal.

A highly stereoselective umpolung 1,4-addition of vinyl bromides to enals is enabled by NHC/palladium cooperative catalysis, generating various valuable γ,δ-unsaturated carbonyl derivatives in excellent yields (up to 90%). A detailed mechanism investigation indicates the NHC act as both organocatalyst and ligand for palladium during this system.

Organic Letters published new progress about Addition reaction. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Related Products of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lee, Kun-Hung; Yen, Wan-Ching; Lin, Wen-Hsing; Wang, Pei-Chen; Lai, You-Liang; Su, Yu-Chieh; Chang, Chun-Yu; Wu, Cai-Syuan; Huang, Yu-Chen; Yang, Chen-Ming; Chou, Ling-Hui; Yeh, Teng-Kuang; Chen, Chiung-Tong; Shih, Chuan; Hsieh, Hsing-Pang published the artcile< Discovery of BPR1R024, an Orally Active and Selective CSF1R Inhibitor that Exhibits Antitumor and Immunomodulatory Activity in a Murine Colon Tumor Model>, Safety of 2-Amino-4-bromobenzoic acid, the main research area is quinazoline derivative preparation oral CSF1R inhibitor antitumor immunomodulator.

Colony-stimulating factor-1 receptor (CSF1R) is implicated in tumor-associated macrophage (TAM) repolarization and has emerged as a promising target for cancer immunotherapy. Herein, we describe the discovery of orally active and selective CSF1R inhibitors by property-driven optimization of BPR1K871 (9), our clin. multitargeting kinase inhibitor. Mol. docking revealed an addnl. nonclassical hydrogen-bonding (NCHB) interaction between the unique 7-aminoquinazoline scaffold and the CSF1R hinge region, contributing to CSF1R potency enhancement. Structural studies of CSF1R and Aurora kinase B (AURB) demonstrated the differences in their back pockets, which inspired the use of a chain extension strategy to diminish the AURA/B activities. A lead compound BPR1R024 (12) exhibited potent CSF1R activity (IC50 = 0.53 nM) and specifically inhibited protumor M2-like macrophage survival with a minimal effect on antitumor M1-like macrophage growth. In vivo, oral administration of 12 mesylate delayed the MC38 murine colon tumor growth and reversed the immunosuppressive tumor microenvironment with the increased M1/M2 ratio.

Journal of Medicinal Chemistry published new progress about Anti-inflammatory agents. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Safety of 2-Amino-4-bromobenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lin, Shuangzheng; Zhao, Gui-Ling; Deiana, Luca; Sun, Junliang; Zhang, Qiong; Leijonmarck, Hans; Cordova, Armando published the artcile< Dynamic kinetic asymmetric domino oxa-Michael/carbocyclization by combination of transition-metal and amine catalysis: catalytic enantioselective synthesis of dihydrofurans>, Recommanded Product: 3-(4-Bromophenyl)acrylaldehyde, the main research area is dihydrofuran derivative enantioselective synthesis; propargyl alc enal Michael carbocyclization chiral amine; transition metal catalyst reduction oxidation epoxidation.

An unprecedented highly enantioselective domino oxa-Michael/carbocyclization between propargyl alcs. and enals by combination of asym. amine and transition-metal catalysis has been developed. The DYKAT gives access to valuable dihydrofurans I (R = 4-NO2-C6H4, 4-CN-C6H4, 3-NO2-C6H4, 4-Br-C6H4, 4-Cl-C6H4, Ph, 4-Me-C6H4, 2-naphtheyl, 4-F-C6H4, nPr) in good to high yields with e.r. of up to 99.5 :0.5. The reduction of I (R = 2-naphthyl, 4-Cl-C6H4) yields alcs. Oxidation or epoxidation reactions are investigated.

Chemistry – A European Journal published new progress about Alcohols, propargyl Role: RCT (Reactant), RACT (Reactant or Reagent). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Recommanded Product: 3-(4-Bromophenyl)acrylaldehyde.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wan, Lin-Xi; Miao, Shi-Xing; He, Zhen-Xiang; Li, Xiaohuan; Zhou, Xian-Li; Gao, Feng published the artcile< Pd-Catalyzed Direct Modification of an Anti-Alzheimer's Disease Drug: Synthesis and Biological Evaluation of α-Aryl Donepezil Analogues>, Related Products of 401-78-5, the main research area is benzylpiperidinylmethyl dimethoxy aryldihydroindenone preparation antialzheimer mol docking.

Palladium/BuAd2P catalyzed efficiently the direct α-arylation of ketone in the anti-Alzheimer’s disease drug donepezil I (Ar = H), leading to 15 aryldonepezil analogs I (Ar = 3-methylpyridin-2-yl (II), 4-chlorophenyl, naphth-1-yl, etc.) exhibiting high selective inhibition of acetylcholinesterase (AChE). The cell-based assays revealed that the 3-methylpridinyl analog (II) shows significantly lower toxicity compared to donepezil and remarkable neuroprotective activity against H2O2-induced damage in SH-SY5Y cells. Docking results of compound II also interpreted the possible mechanism of the selective inhibition between AChE and butyrylcholinesterase.

ACS Omega published new progress about Alzheimer disease. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Related Products of 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Alhijry, Ibraheem A.; El Sherbini, Ashraf M.; El Sherbini, Tharwat M. published the artcile< Measurement of deviations of transition probability of the neutral silver lines at 827.35 and 768.77 nm using OES-technique>, Synthetic Route of 82-73-5, the main research area is silver transition probability Boltzmann plot OES spectrum.

Boltzmann plot of laser produced plasma spectral emission of two Ag I-spectral lines at 827.35 and 768.77 nm was carried out. Surprisingly, two order of magnitude lower inherent transition probabilities of the two Ag I-spectral lines could be monitored using optical emission spectroscopy OES-technique. Nd: YAG laser at 532 nm and incident intensities varying from 1.76 to 3.14 GW/cm2 was used to induce plasma emission of silver targets. Six Ag I-lines were identified using echelle spectrograph facility at 546.54, 520.9, 827.35, 768.77, 328.06 and 338.28 nm in addition to the Ha-line. Corrections against optically thick plasma spectral line emission were routinely implemented while taking into consideration the sensitivity of spectrograph-ICCD combination. The new measured values of transition probabilities were verified during plasma expansion under different laser incident irradiances.

Journal of Quantitative Spectroscopy & Radiative Transfer published new progress about Absorptivity. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Synthetic Route of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Sifeng; Yang, Qingjing; Wang, Jun published the artcile< Copper(II) triflate-catalyzed highly efficient synthesis of N-substituted 1,4-dihydropyridine derivatives via three-component cyclizations of alkynes, amines, and α,β-unsaturated aldehydes>, Reference of 3893-18-3, the main research area is pyridine dihydro preparation; three component reaction alkyne amine unsaturated aldehyde copper catalyst; dihydropyridine preparation.

A copper(II) triflate-catalyzed three-component cyclization of alkynes, amines, and α,β-unsaturated aldehydes was developed to give various 1,4-dihydropyridines in good to high yields. In addition, this efficient and practical protocol proceeded smoothly in gram scale even when the catalytic loading was reduced to 1 mol %.

Tetrahedron Letters published new progress about Alkynes Role: RCT (Reactant), RACT (Reactant or Reagent). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Reference of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary