866930-93-0

Basic information

• Product Name: 2-(4-bromo-2-methylphenyl)ethanol
• Synonyms: 2-(4-bromo-2-methylphenyl)ethanol
• CAS NO: 866930-93-0
• Molecular Weight: 215.09
• Mol File: 866930-93-0.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 2-(4-bromo-2-methylphenyl)ethanol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-bromo-2-methylphenyl)ethanol(866930-93-0)
• EPA Substance Registry System: 2-(4-bromo-2-methylphenyl)ethanol(866930-93-0)

Safety Data

• Hazardous Substances Data: 866930-93-0(Hazardous Substances Data)

Upstream product

• 116632-39-4 2-methyl-4-bromoiodobenzene 
• 853796-39-1 2-(4-bromo-2-methyl-phenyl)acetic acid 
• 215800-05-8 2-(4-bromo-2-methylphenyl)acetonitrile 
• 24078-15-7 4-bromo-1-(chloromethyl)-2-methylbenzene 
• 17100-58-2 4-bromo-2-methylbenzyl alcohol 
• 68837-59-2 4-bromo-2-methylbenzoic acid 
• 943741-00-2 4-bromo-2-methyl-1-vinylbenzene 
• 866930-92-9 (4-bromo-2-methyl-phenyl)-acetic acid tert-butyl ester 

Downstream Products

• 916516-95-5 4-bromo-1-(2-iodo-ethyl)-2-methyl-benzene 
• 943741-05-7 4-(2-(3-cyanophenylcarbamoyloxy)ethyl)-3-methylphenylboronic acid 
• 943741-36-4 (S)-ethyl 3-(benzyloxycarbonylamino)-3-(3-((4-bromo-2-methylphenethoxy)carbonylamino)phenyl)propanoate 

Relevant articles and documents

Atropisomer Control in Macrocyclic Factor VIIa Inhibitors

Incorporation of a methyl group onto a macrocyclic FVIIa inhibitor improves potency 10-fold but is accompanied by atropisomerism due to restricted bond rotation in the macrocyclic structure, as demonstrated by NMR studies. We designed a conformational constraint favoring the desired atropisomer in which this methyl group interacts with the S2 pocket of FVIIa. A macrocyclic inhibitor incorporating this constraint was prepared and demonstrated by NMR to reside predominantly in the desired conformation. This modification improved potency 180-fold relative to the unsubstituted, racemic macrocycle and improved selectivity. An X-ray crystal structure of a closely related analogue in the FVIIa active site was obtained and matches the NMR and modeled conformations, confirming that this conformational constraint does indeed direct the methyl group into the S2 pocket as designed. The resulting rationally designed, conformationally stable template enables further optimization of these macrocyclic inhibitors.

MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS

The present invention relates generally to novel macrocycles of Formula (I): or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, thereof, wherein the variables A, B, L, M, W, Z, R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 are as defined herein. These compounds are selective inhibitors of the serine protease coagulation factor VIIa which can be used as medicaments.

NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS

The invention relates to individual alkyne compounds with an antagonistic action against the MCH-receptor. Said compounds are suitable for producing medicaments for the treatment of metabolic disorders and/or eating disorders, in particular adiposity and diabetes.