(1R,2S)-2-(3-aminopropyl)-1-(1-phenyl-1H-imidazol-4-yl)cyclopropane carboxylic acid | 1334539-71-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (1R,2S)-2-(3-aminopropyl)-1-(1-phenyl-1H-imidazol-4-yl)cyclopropane carboxylic acid
• 英文别名: US9662310, Example 30；(1R,2S)-2-(3-aminopropyl)-1-(1-phenylimidazol-4-yl)cyclopropane-1-carboxylic acid
• CAS: 1334539-71-7
• 化学式: C₁₆H₁₉N₃O₂
• 分子量: 285.346
• InChiKey: YKCVEFPDNCZBMZ-BLLLJJGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl (1R,2S)-2-{3-[bis(tert-butoxycarbonyl)amino]propyl}-1-(1-phenyl-1H-imidazol-4-yl)cyclopropane carboxylate 在 50WX8 、 水 、 ammonium hydroxide 作用下， 以 盐酸 为溶剂， 反应 2.0h， 以to obtain the title compound (134 mg)的产率得到(1R,2S)-2-(3-aminopropyl)-1-(1-phenyl-1H-imidazol-4-yl)cyclopropane carboxylic acid
  参考文献：
  名称：

  CYCLOPROPANECARBOXYLIC ACID DERIVATIVE

  摘要：

  以下为通式（I）所代表的化合物或其药学上可接受的盐，其中R1代表一个C1到C6的烷基，该烷基可以被一个到三个取代基A所取代，或类似的基团（取代基A：羟基，卤素基，氰基，硝基，氨基，羧基，C1到C3的烷基等）；R2、R3和R8各自独立地代表一个氢原子或一个C1到C3的烷基；R4、R5、R6、R7、R9和R10各自独立地代表一个氢原子或类似的基团；而R11代表一个氢原子或类似的基团。该化合物具有TAFIa酶抑制活性，并可用作治疗心肌梗死、心绞痛、急性冠状动脉综合征、脑梗死、深静脉血栓、肺栓塞等的治疗药物。

  公开号：

  US20130012532A1

文献信息

• Cyclopropanecarboxylic acid derivative
  申请人：Nagata Tsutomu

  公开号：US08946443B2

  公开（公告）日：2015-02-03

  A compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof, wherein R1 represents a C1 to C6 alkyl group which may be substituted by one to three groups selected from substituent group A, or the like (substituent group A: a hydroxy group, a halogeno group, a cyano group, a nitro group, an amino group, a carboxy group, a C1 to C3 alkyl group, etc.); R2, R3, and R8 each independently represent a hydrogen atom or a C1 to C3 alkyl group; R4, R5, R6, R7, R9, and R10 each independently represent a hydrogen atom or the like; and R11 represents a hydrogen atom or the like, has TAFIa enzyme inhibitory activity and is useful as a therapeutic drug for myocardial infarction, angina pectoris, acute coronary syndrome, cerebral infarction, deep vein thrombosis, pulmonary embolism, or the like.

  以下是通式（I）或其药学上可接受的盐所代表的化合物，其中R1代表一个C1到C6的烷基，该烷基可以被一个到三个选自取代基A等的基团所取代（取代基A：羟基、卤素基、氰基、硝基、氨基、羧基、C1到C3烷基等）；R2、R3和R8各自独立地表示氢原子或C1到C3烷基；R4、R5、R6、R7、R9和R10各自独立地表示氢原子或类似物；R11表示氢原子或类似物，具有TAFIa酶抑制活性，并且可用作治疗心肌梗死、心绞痛、急性冠状动脉综合症、脑梗死、深静脉血栓形成、肺栓塞等的治疗药物。
• MEDICAL COMPOSITION FOR PROMOTING FIBRINOLYSIS
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3238721A1

  公开（公告）日：2017-11-01

  It is intended to provide a novel pharmaceutical composition that can promote fibrinolysis. The present invention provides a pharmaceutical composition for the promotion of fibrinolysis, comprising edoxaban or a pharmaceutically acceptable salt thereof, or a hydrate of the compound or the salt. The present invention further provides a pharmaceutical composition for the promotion of fibrinolysis, comprising edoxaban or a pharmaceutically acceptable salt thereof, or a hydrate of the compound or the salt and further comprising a TAFIa inhibitor.

  本发明旨在提供一种可促进纤维蛋白溶解的新型药物组合物。本发明提供了一种促进纤维蛋白溶解的药物组合物，包含埃多沙班或其药学上可接受的盐，或该化合物或该盐的水合物。本发明进一步提供了一种促进纤维蛋白溶解的药物组合物，该组合物包含埃多沙班或其药学上可接受的盐，或该化合物或盐的水合物，并进一步包含TAFIa抑制剂。
• INFLAMMATORY INTESTINAL DISEASE THERAPEUTIC AGENT
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3437641A1

  公开（公告）日：2019-02-06

  A therapeutic agent for inflammatory bowel diseases comprising as an active ingredient a compound represented by the formula (I) wherein R represents a hydrogen atom or a [1-(isobutyryloxy)ethoxy]carbonyl group or the like, or a pharmacologically acceptable salt thereof.

  一种治疗炎症性肠病的药物，其活性成分包括由式（I）代表的化合物，其中 R 代表氢原子或[1-（异丁酰氧基）乙氧基]羰基或类似物，或其药理学上可接受的盐。
• PHARMACEUTICAL COMPOSITION FOR PROMOTION OF FIBRINOLYSIS
  申请人：Daiichi Sankyo Company, Limited

  公开号：US20170368037A1

  公开（公告）日：2017-12-28

  It is intended to provide a novel pharmaceutical composition that can promote fibrinolysis. The present invention provides a pharmaceutical composition for the promotion of fibrinolysis, comprising edoxaban or a pharmaceutically acceptable salt thereof, or a hydrate of the compound or the salt. The present invention further provides a pharmaceutical composition for the promotion of fibrinolysis, comprising edoxaban or a pharmaceutically acceptable salt thereof, or a hydrate of the compound or the salt and further comprising a TAFIa inhibitor.
• THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASES
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20190117624A1

  公开（公告）日：2019-04-25

  A therapeutic agent for inflammatory bowel diseases comprising as an active ingredient a compound represented by the formula (I) wherein R represents a hydrogen atom or a [1-(isobutyryloxy)ethoxy]carbonyl group or the like, or a pharmacologically acceptable salt thereof.