2-(2-chloro-5-fluoro-pyrimidin-4-ylamino)-benzoic acid | 31185-82-7

• 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: 2-(2-chloro-5-fluoro-pyrimidin-4-ylamino)-benzoic acid
• 英文别名: 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]benzoic acid
• CAS: 31185-82-7
• 化学式: C₁₁H₇ClFN₃O₂
• 分子量: 267.647
• InChiKey: FPENGEZWXGBLHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-氨基苯酚 、 2-(2-chloro-5-fluoro-pyrimidin-4-ylamino)-benzoic acid 以 乙醇 为溶剂， 生成 2-({5-Fluoro-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
  参考文献：
  名称：

  Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies

  摘要：

  A new series of 4-anilinopyrimidines has been synthesized and evaluated as JNK1 inhibitors. SAR studies led to the discovery of potent JNK1 inhibitors with good enzymatic activity as well as cellular potency represented by compound 2b. Kinase selectivity profile and the crystal structure of 2b are also described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.093
• 作为产物：
  描述：

  邻氨基苯甲酸 、 2,4-二氯-5-氟嘧啶 在 盐酸 作用下， 以85%的产率得到2-(2-chloro-5-fluoro-pyrimidin-4-ylamino)-benzoic acid
  参考文献：
  名称：

  Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies

  摘要：

  A new series of 4-anilinopyrimidines has been synthesized and evaluated as JNK1 inhibitors. SAR studies led to the discovery of potent JNK1 inhibitors with good enzymatic activity as well as cellular potency represented by compound 2b. Kinase selectivity profile and the crystal structure of 2b are also described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.093

文献信息

• AURORA KINASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF
  申请人：Sebti Said M.

  公开号：US20140057913A1

  公开（公告）日：2014-02-27

  Described herein are inhibitors of Aurora kinase and their use in the treatment of cancer. Methods of screening for selective inhibitors of Aurora kinases are also disclosed.

  本文描述了Aurora激酶的抑制剂及其在癌症治疗中的应用。还公开了筛选选择性抑制Aurora激酶的方法。
• KARP V. K.; PORTNYAGINA V. A.; BARKOVA I. S., XIMIYA GETEROTSIKL. SOEDIN., 1977, HO 9,
  作者：KARP V. K.、 PORTNYAGINA V. A.、 BARKOVA I. S.

  DOI：——

  日期：——
• US9249124B2
  申请人：——

  公开号：US9249124B2

  公开（公告）日：2016-02-02
• US9597329B2
  申请人：——

  公开号：US9597329B2

  公开（公告）日：2017-03-21
• [EN] AMINO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS<br/>[FR] AMINOPYRIMIDINES EN TANT QUE MODULATEURS DE CASEINE KINASE II (CK2)
  申请人：EXELIXIS INC

  公开号：WO2007048064A2

  公开（公告）日：2007-04-26

  [EN] A compound having Formula (I) or a pharmaceutically acceptable salt thereof, wherein R₁, R₂, R₃, and Z are as defined in the specification; pharmaceutical compositions thereof; and methods of use thereof.
  [FR] L'invention concerne un composé représenté par la formule (I), ou un sel pharmaceutiquement acceptable dudit composé. Dans ladite formule, R₁, R₂, R₃, et Z sont tels que définis dans la description. L'invention concerne également des compositions pharmaceutiques dudit composé; ainsi que leurs méthodes d'utilisation.