16-chloro-14-[(E)-3-(5-chloro-2-tetrazo-1-ylphenyl)]-12-oxo-8-oxa-11,17,18-triazatricyclo[13.3.1.0(2,7)]nonadeca-1(19),2,4,6,15,17-hexaene-5-carboxylic acid methyl ester | 1329161-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 16-chloro-14-[(E)-3-(5-chloro-2-tetrazo-1-ylphenyl)]-12-oxo-8-oxa-11,17,18-triazatricyclo[13.3.1.0(2,7)]nonadeca-1(19),2,4,6,15,17-hexaene-5-carboxylic acid methyl ester
• 英文别名: methyl 16-chloro-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-12-oxo-8-oxa-11,17,18-triazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaene-5-carboxylate
• CAS: 1329161-21-8
• 化学式: C₂₇H₂₂Cl₂N₈O₅
• 分子量: 609.428
• InChiKey: FOTDYUGRVFXONS-XVNBXDOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  42
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  163
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• MACROCYCLES AS FACTOR XIA INHIBITORS
  申请人：Corte James R.

  公开号：US20120041190A1

  公开（公告）日：2012-02-16

  The present invention provides compounds of Formula (I): or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt thereof, wherein all the variables are as defined herein. These compounds are selective Factor XIa inhibitors or dual inhibitors of fXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了式(I)的化合物：或其立体异构体、互变异构体或药学上可接受的盐，其中所有变量如此定义。这些化合物是选择性因子XIa抑制剂或fXIa和血浆卡利肌酶的双重抑制剂。本发明还涉及包含这些化合物的制药组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。
• SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3786165A1

  公开（公告）日：2021-03-03

  The present invention provides synthetic intermediates useful in the preparation of compounds of Formula (I) or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt thereof, wherein all the variables are as defined herein. These compounds are selective Factor Xia inhibitors or dual inhibitors of fXIa and plasma kallikrein.

  本发明提供了用于制备式（I）化合物或其立体异构体、同分异构体或药学上可接受的盐的合成中间体，其中所有变量如本文所定义。这些化合物是选择性夏因子抑制剂或 fXIa 和血浆钙激酶的双重抑制剂。
• Macrocycles as factor XIA inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US11136327B2

  公开（公告）日：2021-10-05

  The present invention provides compounds of Formula (I): or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt thereof, wherein all the variables are as defined herein. These compounds are selective Factor XIa inhibitors or dual inhibitors of fXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了式 (I) 的化合物： 或其立体异构体、同系物或药学上可接受的盐，其中所有变量如本文所定义。这些化合物是选择性因子 XIa 抑制剂或 fXIa 和血浆球蛋白的双重抑制剂。本发明还涉及包含这些化合物的药物组合物以及使用这些化合物治疗血栓栓塞性和/或炎症性疾病的方法。
• US20140343276A1
  申请人：——

  公开号：US20140343276A1

  公开（公告）日：2014-11-20
• US8828983B2
  申请人：——

  公开号：US8828983B2

  公开（公告）日：2014-09-09