N-(4-{2-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethyl)-phenylamino]-pyrimidin-4-yl}-phenyl)-methanesulfonamide | 1197010-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(4-{2-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethyl)-phenylamino]-pyrimidin-4-yl}-phenyl)-methanesulfonamide
• 英文别名: N-[4-[2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]anilino]pyrimidin-4-yl]phenyl]methanesulfonamide
• CAS: 1197010-60-8
• 化学式: C₂₂H₂₅N₅O₄S₂
• 分子量: 487.604
• InChiKey: NPIJYPKOHBKMAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-(4’-氨基苄基)硫代吗啉 1,1-二氧化物 、 N-(4-(2-chloropyrimidin-4-yl)phenyl)methanesulfonamide 在 水 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 为溶剂， 以38%的产率得到N-(4-{2-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethyl)-phenylamino]-pyrimidin-4-yl}-phenyl)-methanesulfonamide
  参考文献：
  名称：

  Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs)

  摘要：

  A series of phenylaminopyrimidines has been identified as inhibitors of Janus kinases (JAKs). Development of this initial series led to the potent JAK2/JAK1 inhibitor CYT387 (N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl) phenyl]amino]-4-pyrimidinyl]-benzamide). Details of synthesis and SAR studies of these compounds are reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.071

文献信息

• Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs)
  作者：Christopher J. Burns、David G. Bourke、Laura Andrau、Xianyong Bu、Susan A. Charman、Andrew C. Donohue、Emmanuelle Fantino、Michelle Farrugia、John T. Feutrill、Max Joffe、Marcel R. Kling、Margarita Kurek、Tracy L. Nero、Thao Nguyen、James T. Palmer、Ian Phillips、David M. Shackleford、Harrison Sikanyika、Michelle Styles、Stephen Su、Herbert Treutlein、Jun Zeng、Andrew F. Wilks

  DOI：10.1016/j.bmcl.2009.08.071

  日期：2009.10

  A series of phenylaminopyrimidines has been identified as inhibitors of Janus kinases (JAKs). Development of this initial series led to the potent JAK2/JAK1 inhibitor CYT387 (N-(cyanomethyl)-4-[2-[[4-(4-morpholinyl) phenyl]amino]-4-pyrimidinyl]-benzamide). Details of synthesis and SAR studies of these compounds are reported. (C) 2009 Elsevier Ltd. All rights reserved.