5-(2,6-difluoro-benzoylamino)-thiazole-4-carboxylic acid piperidin-4-ylamide | 874288-46-7

• 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-(2,6-difluoro-benzoylamino)-thiazole-4-carboxylic acid piperidin-4-ylamide
• 英文别名: 5-[(2,6-Difluorobenzoyl)amino]-N-4-piperidinyl-4-thiazolecarboxamide；5-[(2,6-difluorobenzoyl)amino]-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
• CAS: 874288-46-7
• 化学式: C₁₆H₁₆F₂N₄O₂S
• 分子量: 366.391
• InChiKey: HEYUDERTMFOHRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-({5-[(2,6-difluoro-benzoyl)-(4-methoxy-benzyl)-amino]-thiazole-4-carbonyl}-amino)-piperidine-1-carboxylic acid tert-butyl ester 在 苯甲醚 、 三氟乙酸 作用下， 反应 0.17h， 以98%的产率得到5-(2,6-difluoro-benzoylamino)-thiazole-4-carboxylic acid piperidin-4-ylamide
  参考文献：
  名称：

  [EN] THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS
  [FR] COMPOSES PHARMACEUTIQUES

  摘要：

  公开号：

  WO2006008545A3

文献信息

• Pharmaceutical Compounds
  申请人：Berdini Valerio

  公开号：US20080167309A1

  公开（公告）日：2008-07-10

  The invention provides a compound for use in the prophylaxis or treatment of a disease state or condition mediated by a cyclin dependent kinase, the compound having the formula (I): and salts, tautomers, N-oxides or solvates thereof, wherein A is a bond, C═O, NR g (C═O) or O(C═O) wherein R g is hydrogen or C 1-4 hydrocarbyl optionally substituted by hydroxy or C 1-4 alkoxy; Y is a bond or an alkylene chain of 1, 2 or 3 carbon atoms in length; Q is S or CR 2 ; J is S or CH; provided that one of Q and J is S, and the other of Q and J is not S; when Q is S, there is a double bond between the ring carbon atoms “a” and “b” and a double bond between the ring nitrogen N and J; and when J is S, there is a double bond between Q and the ring carbon atom “a” and a double bond between the ring nitrogen N and the ring carbon atom “b”; and R 1 to R 4 are as defined in the claims.

  本发明提供了一种化合物，用于预防或治疗由细胞周期依赖性激酶介导的疾病状态或病症，该化合物具有以下式子（I）和其盐、互变异构体、N-氧化物或溶剂化物：其中，A是键合、C═O、NRg(C═O)或O(C═O)，其中Rg为氢或C1-4烃基，可选地被羟基或C1-4烷氧基取代；Y是长度为1、2或3个碳原子的烷基链或键合；Q是S或CR2；J是S或CH；前提是Q和J中的一个是S，而另一个不是S；当Q是S时，环上碳原子“a”和“b”之间有双键，环氮原子N和J之间也有双键；当J是S时，Q和环上碳原子“a”之间有双键，环氮原子N和环上碳原子“b”之间也有双键；R1至R4如权利要求所定义。
• THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS
  申请人：Astex Therapeutics Limited

  公开号：EP1781647A2

  公开（公告）日：2007-05-09
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2006008545A2

  公开（公告）日：2006-01-26

  The invention provides a compound for use in the prophylaxis or treatment of a disease state or condition mediated by a cyclin dependent kinase, the compound having the formula (I): (I) and salts, tautomers, N-oxides or solvates thereof; wherein A is a bond, C=O, NRg(C=O) or O(C=O) wherein Rg is hydrogen or C1-4 hydrocarbyl optionally substituted by hydroxy or C1-4 alkoxy; Y is a bond or an alkylene chain of 1, 2 or 3 carbon atoms in length; Q is S or CR2; J is S or CH; provided that one of Q and J is S, and the other of Q and J is not S; when Q is S, there is a double bond between the ring carbon atoms “a” and “b” and a double bond between the ring nitrogen N and J; and when J is S, there is a double bond between Q and the ring carbon atom “a” and a double bond between the ring nitrogen N and the ring carbon atom “b”; and R1 to R4 are as defined in the claims.
• [EN] THIAZOLE AND ISOTHIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2006008545A3

  公开（公告）日：2006-03-30