ethyl (2Z)-6-[bis(tert-butoxycarbonyl)amino]-2-[1-(trans-4-methylcyclohexyl)-1H-imidazol-4-yl]hex-2-enoate | 1334541-00-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl (2Z)-6-[bis(tert-butoxycarbonyl)amino]-2-[1-(trans-4-methylcyclohexyl)-1H-imidazol-4-yl]hex-2-enoate
• CAS: 1334541-00-2
• 化学式: C₂₈H₄₅N₃O₆
• 分子量: 519.682
• InChiKey: AMDZGQKCYVRPLR-JZPJPPPESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.53
• 重原子数：
  37.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  99.96
• 氢给体数：
  0.0
• 氢受体数：
  8.0

文献信息

• CYCLOPROPANECARBOXYLIC ACID DERIVATIVE
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20150216847A1

  公开（公告）日：2015-08-06

  A compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof, wherein R 1 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.); R 2 , R 3 , and R 8 each independently represent a hydrogen atom or a C1 to C3 alkyl group; R 4 , R 5 , R 6 , R 7 , R 9 , and R 10 each independently represent a hydrogen atom or the like; and R 11 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）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烷基，该烷基可以被一个到三个从取代基A中选择的基团取代，或类似的（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各自独立地代表氢原子或C1到C3烷基；R4、R5、R6、R7、R9和R10各自独立地代表氢原子或类似物；R11代表氢原子或类似物。该化合物具有TAFIa酶抑制活性，并且可用作治疗心肌梗塞、心绞痛、急性冠状动脉综合征、脑梗死、深静脉血栓形成、肺栓塞等的治疗药物。
• US8946443B2
  申请人：——

  公开号：US8946443B2

  公开（公告）日：2015-02-03
• US9662310B2
  申请人：——

  公开号：US9662310B2

  公开（公告）日：2017-05-30