Ethyl 2-[[4-chloro-6-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate | 479229-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Ethyl 2-[[4-chloro-6-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
• CAS: 479229-61-3
• 化学式: C₁₆H₂₀ClN₅O₃S
• 分子量: 397.885
• InChiKey: CXOFJSWNKJYDNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-二甲氨基哌啶 、 Ethyl 2-[[4-chloro-6-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate 以 正丁醇 为溶剂， 生成 Ethyl 2-(4-(4-(dimethylamino)piperidin-1-yl)-6-(4-hydroxypiperidin-1-yl)pyrimidin-2-ylamino)-4-methylthiazole-5-carboxylate
  参考文献：
  名称：

  Identification of potent pyrimidine inhibitors of phosphodiesterase 7 (PDE7) and their ability to inhibit T cell proliferation

  摘要：

  A series of pyrimidine based inhibitors of PDE7 are discussed. The synthesis, structure-activity relationships (SAR) and selectivity against several other PDE family members as well as activity in T cells are presented. These compounds were found to have effects on T cell proliferation, however it is not clear whether the mechanism is related to PDE7 inhibition. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.060
• 作为产物：
  描述：

  4-羟基哌啶 、 2-[(4-6-Dichloropyrimidin-2-yl)amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester 在 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 生成 Ethyl 2-[[4-chloro-6-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
  参考文献：
  名称：

  Identification of potent pyrimidine inhibitors of phosphodiesterase 7 (PDE7) and their ability to inhibit T cell proliferation

  摘要：

  A series of pyrimidine based inhibitors of PDE7 are discussed. The synthesis, structure-activity relationships (SAR) and selectivity against several other PDE family members as well as activity in T cells are presented. These compounds were found to have effects on T cell proliferation, however it is not clear whether the mechanism is related to PDE7 inhibition. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.060