7-(trans-4-tert-Butyl-cyclohexyloxy)-1-cyclopentylmethyl-isoquinoline-3-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 7-(trans-4-tert-Butyl-cyclohexyloxy)-1-cyclopentylmethyl-isoquinoline-3-carboxylic acid
• 英文别名: 7-(4-tert-butylcyclohexyl)oxy-1-(cyclopentylmethyl)isoquinoline-3-carboxylic acid
• 化学式: C₂₆H₃₅NO₃
• 分子量: 409.569
• InChiKey: PTQMIBQNQXWENO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  triphenyl phosphine polystyrene resin 、 1-cyclopentylmethyl-7-hydroxy-isoquinoline-3-carboxylic acid methyl ester 、 3-(TERT-BUTYL)-1-(MESITYLMETHYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID 生成 7-(trans-4-tert-Butyl-cyclohexyloxy)-1-cyclopentylmethyl-isoquinoline-3-carboxylic acid
  参考文献：
  名称：

  摘要：

  DOI：

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：US20050059705A1

  公开（公告）日：2005-03-17

  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 antagonists, or partial antagonist of factor IX and/or factor XI and thus, may be useful for inhibiting 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.

  本发明提供了芳基和杂环芳基化合物，其制备方法，包括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。本发明的化合物可能是因子IX和/或因子XI的拮抗剂或部分拮抗剂，因此，它们可能有助于抑制血液凝固的内在途径。这些化合物可能在各种应用中有用，包括部分由内在凝血途径引起的疾病的管理、治疗和/或控制。
• Aryl and Heteroaryl Compounds, Compositions, Methods of Use
  申请人：Mjalli Adnan M.M.

  公开号：US20090124654A1

  公开（公告）日：2009-05-14

  This invention provides aryl and heteroaryl compounds of formula (X). 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. Formula (X) wherein R 102 is selected from the group consisting of —C(O)OH, —C(O)OCH 3 , —C(O)O-t-butyl, —C(O)NH—OCH 2 -phenyl, C(O)NHOH, and —C(O)NHSO 2 CH 3 ; and wherein R 101 , R 103 , R 104 and Y are as defined herein.

  本发明提供了式（X）的芳基和杂芳基化合物。该发明的化合物可用作因子IX和/或因子XI的拮抗剂或部分拮抗剂，因此可用于抑制血液凝固的内在途径。式（X）中，R102选择自羧酸，甲氧基羰基，叔丁基氧羰基，氧化-苯基甲酰胺，氨基甲酰胺和磺酰甲基氨基甲酰胺等组成的群体；R101、R103、R104和Y的定义如本文所述。
• ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE
  申请人：Transtech Pharma, Inc.

  公开号：EP1660439A2

  公开（公告）日：2006-05-31
• US7208601B2
  申请人：——

  公开号：US7208601B2

  公开（公告）日：2007-04-24