1095537-81-7

Basic information

• Product Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-((R)-2-methyl-4-(3-methylbenzo[d]isoxazol-6-yl)piperazine-1-carbonyl)cyclohexanecarboxamide
• Synonyms: (1R,2R)-N-(1-cyanocyclopropyl)-2-((R)-2-methyl-4-(3-methylbenzo[d]isoxazol-6-yl)piperazine-1-carbonyl)cyclohexanecarboxamide
• CAS NO: 1095537-81-7
• Molecular Weight: 449.553
• Mol File: 1095537-81-7.mol

Chemical Properties

• CAS DataBase Reference: (1R,2R)-N-(1-cyanocyclopropyl)-2-((R)-2-methyl-4-(3-methylbenzo[d]isoxazol-6-yl)piperazine-1-carbonyl)cyclohexanecarboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: (1R,2R)-N-(1-cyanocyclopropyl)-2-((R)-2-methyl-4-(3-methylbenzo[d]isoxazol-6-yl)piperazine-1-carbonyl)cyclohexanecarboxamide(1095537-81-7)
• EPA Substance Registry System: (1R,2R)-N-(1-cyanocyclopropyl)-2-((R)-2-methyl-4-(3-methylbenzo[d]isoxazol-6-yl)piperazine-1-carbonyl)cyclohexanecarboxamide(1095537-81-7)

Safety Data

• Hazardous Substances Data: 1095537-81-7(Hazardous Substances Data)

Upstream product

• 1403499-48-8 C₁₈H₂₅N₃O₃ 
• 30186-18-6 4'-bromo-2'-hydroxyacetophenone 
• 85-42-7 trans-1,2-cyclohexanedicarboxylic anhydride 
• 1095543-49-9 (R)-3-methyl-6-(3-methylpiperazin-1-yl)benzo[d]isoxazole 
• 127946-77-4 1-amino-1-cyclopropanecarbonitrile hydrochloride 
• 66033-69-0 6-bromo-3-methyl-1,2-benzisoxazole 
• 342624-56-0 1-(4-bromo-2-hydroxyphenyl)ethanone O-acetyl oxime 
• 1095544-88-9 1-(4-bromo-2-hydroxyphenyl)ethanone oxime 

Relevant articles and documents

Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin K inhibitors

Rational structure-based design has yielded highly potent inhibitors of cathepsin K (Cat K) with excellent physical properties, selectivity profiles, and pharmacokinetics. Compounds with a 3,4-(CH3O)2Ph motif, such as 31, were found to have excellent metabolic stability and absorption profiles. Through metabolite identification studies, a reactive metabolite risk was identified with this motif. Subsequent structure-based design of isoteres culminated in the discovery of an optimized and balanced inhibitor (indazole, 38).

CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS

The present invention relates to compounds of formula (I) for treating diseases associated with cysteine protease activity. The compounds are reversible inhibitors of cysteine proteases, including cathepsins B, K, C, F, H, L, O, S, W and X. Of particular interest are diseases associated with Cathepsin K.