2(S)-{[7-(4-tert-Butyl-phenoxy)-1-cyclopentylmethyl-isoquinoline-3-carbonyl]-amino}-3-(2,5-dichloro-thiophen-3-yl)-propionic acid methyl ester | 1151862-94-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2(S)-{[7-(4-tert-Butyl-phenoxy)-1-cyclopentylmethyl-isoquinoline-3-carbonyl]-amino}-3-(2,5-dichloro-thiophen-3-yl)-propionic acid methyl ester
• 英文别名: methyl (2S)-2-[[7-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carbonyl]amino]-3-(2,5-dichlorothiophen-3-yl)propanoate
• CAS: 1151862-94-0
• 化学式: C₃₄H₃₆Cl₂N₂O₄S
• 分子量: 639.643
• InChiKey: AAVXWAPJKKEARW-LJAQVGFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  43
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Aryl and heteroaryl compounds, compositions, methods of use
  申请人：Mjalli M.M. Adnan

  公开号：US20050171148A1

  公开（公告）日：2005-08-04

  This invention provides aryl and heteroaryl compounds, methods of their preparation, pharmaceutical compositions comprising the compounds, and their use in treating human or animal disorders. The compounds of the invention may be useful as antagonists, or partial antagonist of factor IX and/or factor XI and thus, may be used to inhibit the intrinsic pathway of blood coagulation. The compounds may be useful in a variety of applications including the management, treatment and/or control of diseases caused in part by the intrinsic clotting pathway utilizing factor IX and/or XI.

  这项发明提供了芳基和杂环芳基化合物，以及它们的制备方法、包含这些化合物的药物组合物，以及它们在治疗人类或动物疾病中的应用。该发明的化合物可能用作因子IX和/或因子XI的拮抗剂或部分拮抗剂，因此可以用于抑制血液凝固的内在途径。这些化合物可能在多种应用中有用，包括利用因子IX和/或XI的内在凝血途径部分引起的疾病的管理、治疗和/或控制。
• Aryl and heteroaryl compounds, compositions, and methods of use
  申请人：Mjalli M.M. Adnan

  公开号：US20070254916A1

  公开（公告）日：2007-11-01

  This invention provides aryl and heteroaryl compounds, methods of their preparation, pharmaceutical compositions comprising the compounds, and their use in treating human or animal disorders. The compounds of the invention may be useful as antagonists, or partial antagonist of factor IX and/or factor XI and thus, may be used to inhibit the intrinsic pathway of blood coagulation. The compounds may be useful in a variety of applications including the management, treatment and/or control of diseases caused in part by the intrinsic clotting pathway utilizing factor IX and/or XI.

  本发明提供了芳基和杂环芳基化合物，其制备方法，包含这些化合物的制药组合物以及它们在治疗人类或动物疾病中的应用。该发明的化合物可能作为因子IX和/或因子XI的拮抗剂或部分拮抗剂而有用，因此可以用于抑制血液凝固的内在途径。这些化合物可以用于各种应用，包括利用因子IX和/或XI的内在凝血途径引起的疾病的管理、治疗和/或控制。
• US7208601B2
  申请人：——

  公开号：US7208601B2

  公开（公告）日：2007-04-24