2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]-N-naphthalen-1-ylmorpholine-4-carboxamide | 317364-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]-N-naphthalen-1-ylmorpholine-4-carboxamide
• CAS: 317364-86-6
• 化学式: C₂₇H₂₅N₇O₂
• 分子量: 479.541
• InChiKey: MQIBHDWNDBSQLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  97.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-[(morpholin-2-yl)-methylamino]-4-[benzimidazol-1-yl]pyrimidine 、 1-Alapha-萘异氰酸酯 以 二氯甲烷 为溶剂， 生成 2-[[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]methyl]-N-naphthalen-1-ylmorpholine-4-carboxamide
  参考文献：
  名称：

  Disubstituted pyrimidines as Lck inhibitors

  摘要：

  We have developed a family of 4-benzimidazolyl-N-piperazinethyl-pyrimidin-2-amines that are subnanomolar inhibitors of Lck. A subset of these Lck inhibitors, with heterocyclic substituents at the benzimidazole C5, are also low-nanomolar inhibitors of cellular IL2 release. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.102

文献信息

• Disubstituted pyrimidines as Lck inhibitors
  作者：Julianne A. Hunt、Richard T. Beresis、Joung L. Goulet、Mark A. Holmes、Xinfang J. Hong、Ernest Kovacs、Sander G. Mills、Rowena D. Ruzek、Frederick Wong、Jeffrey D. Hermes、Young-Whan Park、Scott P. Salowe、Lisa M. Sonatore、Lin Wu、Andrea Woods、Dennis M. Zaller、Peter J. Sinclair

  DOI：10.1016/j.bmcl.2009.07.102

  日期：2009.9

  We have developed a family of 4-benzimidazolyl-N-piperazinethyl-pyrimidin-2-amines that are subnanomolar inhibitors of Lck. A subset of these Lck inhibitors, with heterocyclic substituents at the benzimidazole C5, are also low-nanomolar inhibitors of cellular IL2 release. (C) 2009 Elsevier Ltd. All rights reserved.