4-(6-bromo-3-chloro-2-fluorophenyl)-5-hydroxyfuran-2(5H)-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(6-bromo-3-chloro-2-fluorophenyl)-5-hydroxyfuran-2(5H)-one
• 英文别名: 3-(6-bromo-3-chloro-2-fluorophenyl)-2-hydroxy-2H-furan-5-one
• 化学式: C₁₀H₅BrClFO₃
• 分子量: 307.503
• InChiKey: DCUGIAVFQDYENJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(6-bromo-3-chloro-2-fluorophenyl)-5-hydroxyfuran-2(5H)-one 、 methyl N-[(10R,14S)-14-amino-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0^2,7]-nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate bis-trifluoroacetic acid salt 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 18.0h， 以5.8%的产率得到methyl N-[(10R,14S)-14-[4-(6-bromo-3-chloro-2-fluorophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo [13.3.1.0²'⁷]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate trifluoroacetic acid
  参考文献：
  名称：

  第ＸＩＡ因子阻害剤としてのジヒドロピリドンＰ１

  摘要：

  This invention provides compounds represented by formula (X): (X), wherein all variable groups are as defined in the specification, compounds, or their stereoisomers, tautomers, or pharmaceutically acceptable salts. These compounds are selective factor XIa inhibitors or dual inhibitors of factor XIa and plasma kallikrein. The invention also relates to pharmaceutical compositions containing these compounds and methods for treating thrombotic and/or inflammatory disorders using them.

  公开号：

  JP2015528022A

文献信息

• DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150203492A1

  公开（公告）日：2015-07-23

  The present invention provides compounds of Formula (X): (Formula (X), or stereoisomers, tautomers, or pharmaceutically acceptable salts 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X式化合物：（X式，或其立体异构体、互变异构体或药学上可接受的盐），其中所有变量均如定义所述。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。
• US9409908B2
  申请人：——

  公开号：US9409908B2

  公开（公告）日：2016-08-09
• US9951071B2
  申请人：——

  公开号：US9951071B2

  公开（公告）日：2018-04-24
• [EN] DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS<br/>[FR] RÉCEPTEURS P1 DE LA DIHYDROPYRIDONE EN TANT QU'INHIBITEURS DU FACTEUR XIA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014022767A1

  公开（公告）日：2014-02-06

  The present invention provides compounds of Formula (X):(Formula(X), or stereoisomers, tautomers, or pharmaceutically acceptable salts 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.