2-[(2-氯-4-嘧啶)氨基]-苯甲酸 | 31185-80-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-[(2-氯-4-嘧啶)氨基]-苯甲酸
• 英文名称: 2-Chloro-4-(o-carboxyphenylamino)pyrimidine
• 英文别名: 2-(2-chloro-pyrimidin-4-ylamino)-benzoic acid；2-Chlor-4-(o-carboxyphenylamino)pyrimidin；2-[(2-Chloropyrimidin-4-yl)amino]benzoic acid
• CAS: 31185-80-5
• 化学式: C₁₁H₈ClN₃O₂
• 分子量: 249.656
• InChiKey: OOMWDVDTDKNMCP-UHFFFAOYSA-N

物化性质

• 熔点：
  >220 °C (decomp)
• 沸点：
  493.9±25.0 °C(Predicted)
• 密度：
  1.500±0.06 g/cm3(Predicted)
• 溶解度：
  >37.4 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 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：
  5

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  2-[(2-氯-4-嘧啶)氨基]-苯甲酸 在 ammonium chloride 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 6.33h， 生成 2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
  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：

  2,4-二氯嘧啶 、 邻氨基苯甲酸 在 盐酸 作用下， 以95%的产率得到2-[(2-氯-4-嘧啶)氨基]-苯甲酸
  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。
• Complexes of bivalent copper, methods of preparation thereof and compositions containing said complexes
  申请人：Boettcher, Barry

  公开号：EP0002341A1

  公开（公告）日：1979-06-13

  Neutralcopper complexes, particularly copper-salicylate complexes.having the formula Cu[C6H4(OH)COO]2 ROH in which ROH represents an alkanol, have been found to have therapeutic activity in the treatment of inflammatory diseases. The complexes have been found particularly suitable for the treatment of arthritis.

  已发现中性铜络合物，特别是具有 Cu[C6H4(OH)COO]2 ROH 式（其中 ROH 代表烷醇）的水杨酸铜络合物，在治疗炎症性疾病方面具有治疗活性。这些复合物尤其适用于治疗关节炎。
• Synthesis and antiinflammatory properties of o-carboxyphenylamino pyrimidines
  作者：V. K. Karn、I. S. Tat'yanchenko、V. A. Portnyagina、N. A. Mokhort、T. K. Ryabukha、A. V. Vinnikova

  DOI：10.1007/bf00765130

  日期：1983.11
• KARP, V. K.;TATYANCHENKO, I. S.;PORTNYAGINA, V. A.;MOXORT, N. A.;RYABUXA,+, XIM.-FARMATS. ZH., 1983, 17, N 11, 1304-1307
  作者：KARP, V. K.、TATYANCHENKO, I. S.、PORTNYAGINA, V. A.、MOXORT, N. A.、RYABUXA,+

  DOI：——

  日期：——
• 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：——