5-cyano-furan-2-carboxylic acid (4-imidazol-1-yl-2-piperidin-1-yl-phenyl)-amide | 854044-12-5

• 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: 5-cyano-furan-2-carboxylic acid (4-imidazol-1-yl-2-piperidin-1-yl-phenyl)-amide
• 英文别名: N-(4-(1H-imidazol-1-yl)-2-(piperidin-1-yl)phenyl)-5-cyanofuran-2-carboxamide；5-cyano-N-(4-imidazol-1-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
• CAS: 854044-12-5
• 化学式: C₂₀H₁₉N₅O₂
• 分子量: 361.403
• InChiKey: ZRIOTTIHUCWFGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  87.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-cyanofuran-2-carbonyl chloride 、 4-imidazol-1-yl-2-piperidin-1-yl-phenylamine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 5-cyano-furan-2-carboxylic acid (4-imidazol-1-yl-2-piperidin-1-yl-phenyl)-amide
  参考文献：
  名称：

  Discovery of novel FMS kinase inhibitors as anti-inflammatory agents

  摘要：

  The optimization of the arylamide lead 2 resulted in identification of a highly potent series of 2,4-disubstituted arylamides. Compound 8 (FMS kinase IC50 = 0.0008 mu M) served as a proof-of-concept candidate in a collagen-induced model of arthritis in mice. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.059

文献信息

• C-fms kinase inhibitors
  申请人：Player R. Mark

  公开号：US20050131022A1

  公开（公告）日：2005-06-16

  The invention is directed to compounds of Formulae I: wherein A, R 1 , R 2 , R 3 , R 4 , X, and W are set forth in the specification, as well as solvates, hydrates, tautomers or pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase.

  本发明涉及式I的化合物：其中A、R1、R2、R3、R4、X和W在说明书中列出，以及其溶剂化物、水合物、互变异构体或药学上可接受的盐，它们抑制蛋白酪氨酸激酶，特别是c-fms激酶。
• c-fms kinase inhibitors
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：US07427683B2

  公开（公告）日：2008-09-23

  The invention is directed to compounds of Formulae I: wherein A, R1, R2, R3, R4, X, and W are set forth in the specification, as well as solvates, hydrates, tautomers or pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase.

  该发明涉及式I的化合物：其中A，R1，R2，R3，R4，X和W在规范中列出，以及其溶剂化物，水合物，互变异构体或药学上可接受的盐，其抑制蛋白酪氨酸激酶，特别是c-fms激酶。
• US7427683B2
  申请人：——

  公开号：US7427683B2

  公开（公告）日：2008-09-23
• Discovery of novel FMS kinase inhibitors as anti-inflammatory agents
  作者：Carl R. Illig、Jinsheng Chen、Mark J. Wall、Kenneth J. Wilson、Shelley K. Ballentine、M. Jonathan Rudolph、Renee L. DesJarlais、Yanmin Chen、Carsten Schubert、Ioanna Petrounia、Carl S. Crysler、Christopher J. Molloy、Margery A. Chaikin、Carl L. Manthey、Mark R. Player、Bruce E. Tomczuk、Sanath K. Meegalla

  DOI：10.1016/j.bmcl.2008.01.059

  日期：2008.3

  The optimization of the arylamide lead 2 resulted in identification of a highly potent series of 2,4-disubstituted arylamides. Compound 8 (FMS kinase IC50 = 0.0008 mu M) served as a proof-of-concept candidate in a collagen-induced model of arthritis in mice. (c) 2008 Elsevier Ltd. All rights reserved.