benzyl-carbamic acid 1-(1-benzyl-4-cyano-7-oxo-azepan-4-ylcarbamoyl)-3-methyl-butyl ester | 478280-93-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: benzyl-carbamic acid 1-(1-benzyl-4-cyano-7-oxo-azepan-4-ylcarbamoyl)-3-methyl-butyl ester
• 英文别名: [1-[(1-benzyl-4-cyano-7-oxoazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl] N-benzylcarbamate
• CAS: 478280-93-2
• 化学式: C₂₈H₃₄N₄O₄
• 分子量: 490.602
• InChiKey: MNPXMRFXPMYHKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Novel nitriles useful as reversible inhibitors of cysteine proteases
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030119827A1

  公开（公告）日：2003-06-26

  Disclosed are novel nitrile compounds of formula (I) further defined herein, which compounds are useful as reversible inhibitors of cysteine proteases such as cathepsin K, S, F, L and B. These compounds are useful for treating diseases and pathological conditions exacerbated by these proteases such as, but not limited to, osteoporosis, rheumatoid arthritis, multiple sclerosis, asthma and other autoimmune diseases, Alzheimer's disease, atherosclerosis. Also disclosed are processes for making such novel compounds. 1

  揭示了以下式（I）的新型腈化合物，这些化合物被进一步定义，可用作半胱氨酸蛋白酶的可逆抑制剂，如卡特普辛K、S、F、L和B。这些化合物可用于治疗由这些蛋白酶恶化的疾病和病理条件，包括但不限于骨质疏松症、类风湿性关节炎、多发性硬化、哮喘和其他自身免疫疾病、阿尔茨海默病、动脉粥样硬化。还公开了制备这种新型化合物的方法。
• NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES
  申请人：Boehringer Ingelheim Pharmaceuticals Inc.

  公开号：EP1399431B1

  公开（公告）日：2009-02-18
• US6982263B2
  申请人：——

  公开号：US6982263B2

  公开（公告）日：2006-01-03
• [EN] NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES<br/>[FR] NOUVEAUX NITRILES UTILISES COMME INHIBITEURS REVERSIBLES DE CYSTEINE PROTEASES
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2002100849A2

  公开（公告）日：2002-12-19

  Disclosed are novel nitrile compounds of formula (I) further defined herein, which compounds are useful as reversible inhibitors of cysteine proteases such as cathepsin K, S, F, L and B. These compounds are useful for treating diseases and pathological conditions exacerbated by these proteases such as, but not limited to, osteoporosis, rheumatoid arthritis, multiple sclerosis, asthma and other autoimmune diseases, Alzheimer's disease, atherosclerosis. Also disclosed are processes for making such novel compounds.