N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-1H-indazole-6-sulfonamide | 477740-20-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-1H-indazole-6-sulfonamide
• CAS: 477740-20-8
• 化学式: C₂₅H₂₃FN₄O₅S₂
• 分子量: 542.612
• InChiKey: UXNRJAGTOYJBPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1H-吲唑-6-磺酰氯 、 3-amino-1-(3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)piperidin-2-one 在 potassium carbonate 作用下， 以 乙酸乙酯 为溶剂， 生成 N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-1H-indazole-6-sulfonamide
  参考文献：
  名称：

  Sulfonamidolactam inhibitors of coagulation factor Xa

  摘要：

  As part of an effort to identify novel backups for previously reported pyrazole-based coagulation Factor Xa inhibitors, the pyrazole 5-carboxamide moiety was replaced by 3-(sulfonylamino)-2-piperidone. This led to the identification of a structurally diverse chemotype that was further optimized to incorporate neutral or weakly basic aryl and heteroaryl P1 groups while maintaining good potency versus Factor Xa. Substitution at the sulfonamide nitrogen provided further improvements in potency and as did introduction of alternate P4 moieties. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.054

文献信息

• Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors
  申请人：——

  公开号：US20020183324A1

  公开（公告）日：2002-12-05

  The present application describes monocyclic or bicyclic carbocycles and heterocycles and derivatives thereof of Formula I: 1 or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of factor Xa.

  本申请描述了单环或双环碳环和杂环以及其衍生物的化合物I的公式，或其药用可接受的盐形式，这些化合物对于Xa因子的抑制剂具有用处。
• MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1337251B1

  公开（公告）日：2008-08-20
• US6710058B2
  申请人：——

  公开号：US6710058B2

  公开（公告）日：2004-03-23
• US6951872B2
  申请人：——

  公开号：US6951872B2

  公开（公告）日：2005-10-04
• Sulfonamidolactam inhibitors of coagulation factor Xa
  作者：Joanne M. Smallheer、Shuaige Wang、Mia L. Laws、Suanne Nakajima、Zilun Hu、Wei Han、Irina Jacobson、Joseph M. Luettgen、Karen A. Rossi、Alan R. Rendina、Robert M. Knabb、Ruth R. Wexler、Patrick Y.S. Lam、Mimi L. Quan

  DOI：10.1016/j.bmcl.2008.02.054

  日期：2008.4

  As part of an effort to identify novel backups for previously reported pyrazole-based coagulation Factor Xa inhibitors, the pyrazole 5-carboxamide moiety was replaced by 3-(sulfonylamino)-2-piperidone. This led to the identification of a structurally diverse chemotype that was further optimized to incorporate neutral or weakly basic aryl and heteroaryl P1 groups while maintaining good potency versus Factor Xa. Substitution at the sulfonamide nitrogen provided further improvements in potency and as did introduction of alternate P4 moieties. (C) 2008 Elsevier Ltd. All rights reserved.