3-(3-cyano-4-trifluoromethyl-phenyl)-1-oxiranylmethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester | 1048035-00-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3-cyano-4-trifluoromethyl-phenyl)-1-oxiranylmethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 3-[3-cyano-4-(trifluoromethyl)phenyl]-1-(oxiran-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
• CAS: 1048035-00-2
• 化学式: C₂₂H₂₃F₃N₄O₃
• 分子量: 448.445
• InChiKey: XGEWHLWUZHETBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.7
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S
  申请人：Allen Darin

  公开号：US20080269241A1

  公开（公告）日：2008-10-30

  Bicyclic aminopropyl tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

  本文描述了双环氨基丙基四氢吡唑吡啶化合物，可用作蛋白酶S的调节剂。这些化合物可用于制备药物组合物和治疗疾病状态、障碍和由蛋白酶S活性介导的疾病，如牛皮癣、疼痛、多发性硬化症、动脉粥样硬化和类风湿性关节炎的方法。
• MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S
  申请人：Allen Darin

  公开号：US20090118274A1

  公开（公告）日：2009-05-07

  Monocyclic aminopropyl tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

  本文描述了单环氨基丙基四氢吡唑吡啶化合物，其可用作蛋白酶S调节剂。这些化合物可用于制备药物组合物和治疗由蛋白酶S活性介导的疾病状态、紊乱和病况，例如银屑病、疼痛、多发性硬化症、动脉硬化和类风湿性关节炎的方法。