(s)-(2,2,2-Trifluoro-ethyl)-carbamic acid 1-(cyanomethyl-carbamoyl)-2-cyclohexyl-ethyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (s)-(2,2,2-Trifluoro-ethyl)-carbamic acid 1-(cyanomethyl-carbamoyl)-2-cyclohexyl-ethyl ester
• 英文别名: [(2S)-1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl] N-(2,2,2-trifluoroethyl)carbamate
• 化学式: C₁₄H₂₀F₃N₃O₃
• 分子量: 335.32
• InChiKey: NZUQEPQXEKZZSW-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  91.2
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (r)-n-Cyanomethyl-3-cyclohexyl-2-hydroxy-propionamide 、 2,2,2-三氟乙基胺 、 (2,2,2-Trifluoro-ethyl)-carbamic acid 1-(cyanomethyl-carbamoyl)-2-cyclohexyl-ethyl ester 反应 0.42h， 生成 (s)-(2,2,2-Trifluoro-ethyl)-carbamic acid 1-(cyanomethyl-carbamoyl)-2-cyclohexyl-ethyl ester
  参考文献：
  名称：

  Novel compounds and compositions as cathepsin inhibitors

  摘要：

  本发明涉及一种新型选择性卡硫化酶S抑制剂，其药学上可接受的盐和N-氧化物，其作为治疗剂的用途以及其制备方法。

  公开号：

  US20040142999A1

文献信息

• CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS
  申请人：AXYS PHARMACEUTICALS, INC.

  公开号：EP1397340A2

  公开（公告）日：2004-03-17
• [EN] NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS<br/>[FR] NOUVEAUX COMPOSES ET COMPOSITIONS UTILISES EN TANT QU'INHIBITEURS DE CATHEPSINE
  申请人：AXYS PHARM INC

  公开号：WO2002098850A2

  公开（公告）日：2002-12-12

  The present invention relates to coumponds of formula (I) (in which X1 is-NHC(R1)(R2)X3 or -NHX4 and the other variables are as defined in the claims) and the pharmaceutically acceptable salts and N-oxides therof, useful as selective cathepsin S inhibitors, their uses as therapeutic agents and the methods for their making. Formula (I):
• Novel compounds and compositions as cathepsin inhibitors
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US20040142999A1

  公开（公告）日：2004-07-22

  The present invention relates to novel selective cathepsin S inhibitors, the pharmaceutically acceptable salts and N-oxides thereof, their uses as therapeutic agents and the methods of their making.

  本发明涉及一种新型选择性卡硫化酶S抑制剂，其药学上可接受的盐和N-氧化物，其作为治疗剂的用途以及其制备方法。