(3R,6S,8R)-6-isobutyl-8-[4'-(methylsulfonyl)biphenyl-4-yl]-5-oxo-8-(trifluoromethyl)-1-thia-4,7-diazacycloundec-9-yne-3-carbonitrile | 1064624-07-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (3R,6S,8R)-6-isobutyl-8-[4'-(methylsulfonyl)biphenyl-4-yl]-5-oxo-8-(trifluoromethyl)-1-thia-4,7-diazacycloundec-9-yne-3-carbonitrile
• 英文别名: (3R,6S,8R)-6-(2-methylpropyl)-8-[4-(4-methylsulfonylphenyl)phenyl]-5-oxo-8-(trifluoromethyl)-1-thia-4,7-diazacycloundec-9-yne-3-carbonitrile
• CAS: 1064624-07-2
• 化学式: C₂₇H₂₈F₃N₃O₃S₂
• 分子量: 563.665
• InChiKey: MLXAYXUCMSBEOI-CWDLOFLHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• CATHEPSIN CYSTEINE PROTEASE INHIBITORS
  申请人：Oballa Renata

  公开号：US20100063013A1

  公开（公告）日：2010-03-11

  The present invention relates to novel compounds of the formula (I), wherein R′-R7, X, Y, D and n are as defined in the specification. These compounds are cysteine protease inhibitors which include but are not limited to inhibitors of cathepsms K, L, S and B and are useful for treating diseases in which inhibition of bone resorption is indicated, such as osteoporosis.

  本发明涉及公式（I）的新化合物，其中R′-R7，X，Y，D和n如规范中所定义。这些化合物是半胱氨酸蛋白酶抑制剂，包括但不限于猫蛋白酶K，L，S和B的抑制剂，并且适用于治疗需要抑制骨吸收的疾病，例如骨质疏松症。
• [EN] CATHEPSIN CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE CYSTÉINE PROTÉASES DE TYPE CATHEPSINES
  申请人：MERCK FROSST CANADA LTD

  公开号：WO2008116302A1

  公开（公告）日：2008-10-02

  [EN] The present invention relates to novel compounds of the formula (I), wherein R'-R7, X, Y, D and n are as defined in the specification. These compounds are cysteine protease inhibitors which include but are not limited to inhibitors of cathepsms K, L, S and B and are useful for treating diseases in which inhibition of bone resorption is indicated, such as osteoporosis.
  [FR] La présente invention porte sur de nouveaux composés de formule (I), dans laquelle R'-R7, X, Y, D et n sont tels que définis dans la description. Ces composés sont des inhibiteurs de cystéine protéases qui comprennent, mais pas exclusivement, des inhibiteurs des cathepsines K, L, S et B, et sont utiles pour le traitement de maladies, telles que l'ostéoporose, dans lesquelles l'inhibition de la résorption osseuse est indiquée.