5-chloro-2-[(napthalen-1-yl-methyl)-amino]-benzoic acid | 660831-05-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5-chloro-2-[(napthalen-1-yl-methyl)-amino]-benzoic acid
• 英文别名: 5-chloro-2-(naphthalen-1-ylmethylamino)benzoic acid
• CAS: 660831-05-0
• 化学式: C₁₈H₁₄ClNO₂
• 分子量: 311.768
• InChiKey: AHDNDRHPRAOWOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-chloro-2-[(napthalen-1-yl-methyl)-amino]-benzoic acid 、 (2S)-amino-3-(2'-phenoxy-biphenyl-4-yl)-propionic acid methyl ester hydrochloride salt 以to give 2-{5-Chloro-2-[(naphthalene-1-yl-methyl)-amino]-3-(2′phenoxy-biphenyl-4-yl)-propionic acid methyl ester (0.155 g, 75.6%)的产率得到5-Chloro-2-[(naphthalene-1-yl-methyl)-amino]-3-(2'phenoxy-biphenyl-4-yl)-propionic acid methyl ester
  参考文献：
  名称：

  Aryl and heteroaryl compounds and methods to modulate coagulation

  摘要：

  本发明提供了某些化合物、它们的制备方法、包括这些化合物的药物组合物和它们在治疗人类或动物疾病中的应用。本发明的化合物可用作因子IX的拮抗剂，或更好地说，部分拮抗剂，因此可以用于抑制血凝的内在途径。这些化合物在各种应用中都很有用，包括通过使用因子IX利用内在凝血途径部分引起的疾病的管理、治疗和/或控制。这些疾病或疾病状态包括中风、心肌梗死、动脉瘤手术、手术后深静脉血栓形成、长时间禁闭以及获得性或遗传性促凝状态。

  公开号：

  US07122580B2

文献信息

• ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION
  申请人：TransTech Pharma Inc.

  公开号：EP1546089A2

  公开（公告）日：2005-06-29
• CHLORIDE CHANNEL AND CHLORIDE TRANSPORTER MODULATORS FOR THERAPY IN SMOOTH MUSCLE DISEASES
  申请人：EMALA Charles William

  公开号：US20140024683A1

  公开（公告）日：2014-01-23

  The present invention provides, inter alia, methods and pharmaceutical compositions for preventing, treating, or ameliorating the effects of a disease characterized by altered smooth muscle contractility, such as e.g., asthma and chronic obstructive pulmonary disease.
• US7122580B2
  申请人：——

  公开号：US7122580B2

  公开（公告）日：2006-10-17
• [EN] ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION<br/>[FR] COMPOSES ARYLE ET HETEROARYLE ET PROCEDES DE MODULATION DE LA COAGULATION
  申请人：TRANSTECH PHARMA INC

  公开号：WO2004014844A2

  公开（公告）日：2004-02-19

  This invention provides certain compounds, methods of their preparation, pharmaceutical compositions comprising the compounds, and their use in treating human or animal disorders. The compounds of the invention are useful as antagonists, or more preferably, partial antagonist of factor IX and thus, may be used to inhibit the intrinsic pathway of blood coagulation. The compounds are 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. Such diseases or disease states include stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures, long periods of confinement, and acquired or inherited pro-coagulant states.