2-Naphthalenecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)amino]- | 929007-74-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-Naphthalenecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)amino]-
• CAS: 929007-74-9
• 化学式: C₁₅H₁₀ClN₃O₂
• 分子量: 299.716
• InChiKey: QZOSQHYJJGAAOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.11
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Naphthalenecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)amino]- 、 3-氨基苯酚 以 乙醇 为溶剂， 生成 3-({2-[(3-Hydroxyphenyl)amino]pyrimidin-4-yl}amino)naphthalene-2-carboxylic 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：

  2,4-二氯嘧啶 、 3-氨基-2-萘甲酸 在 盐酸 作用下， 以85%的产率得到2-Naphthalenecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)amino]-
  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