3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-N-(3-carbamoylphenyl)-4-methylbenzamide | 1202482-74-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-N-(3-carbamoylphenyl)-4-methylbenzamide
• 英文别名: 3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-N-(3-carbamoylphenyl)-4-methylbenzamide
• CAS: 1202482-74-3
• 化学式: C₂₆H₂₂N₈O₂
• 分子量: 478.513
• InChiKey: QCKKIWHJTVEYAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  154
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-[1-(6-amino-pyrimidin-4-yl)-1H-benzoimidazol-2-ylamino]-4-methyl-benzoic acid 、 3-氨基苯甲酰胺 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 3-(1-(6-aminopyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)-N-(3-carbamoylphenyl)-4-methylbenzamide
  参考文献：
  名称：

  Discovery of pyrimidine benzimidazoles as Src-family selective Lck inhibitors. Part II

  摘要：

  A series of 4-amino-6-benzimidazole-pyrimidines was designed to target lymphocyte-specific tyrosine kinase (Lck), a member of the Src-family kinases (SFKs). These type II inhibitors were optimized using a cellular Lck-dependent proliferation assay and are capable of inhibiting Lck at single-digit nanomolar concentrations. This scaffold is likely to serve a valuable template for developing potent inhibitors of a number of SFKs. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.123

文献信息

• Discovery of pyrimidine benzimidazoles as Src-family selective Lck inhibitors. Part II
  作者：Guobao Zhang、Pingda Ren、Nathanael S. Gray、Taebo Sim、Xia Wang、Yi Liu、Jianwei Che、Weitong Dong、Shin-Shay Tian、Mark L. Sandberg、Tracy A. Spalding、Russell Romeo、Maya Iskandar、Zhiliang Wang、H. Martin Seidel、Donald S. Karanewsky、Yun He

  DOI：10.1016/j.bmcl.2009.09.123

  日期：2009.12

  A series of 4-amino-6-benzimidazole-pyrimidines was designed to target lymphocyte-specific tyrosine kinase (Lck), a member of the Src-family kinases (SFKs). These type II inhibitors were optimized using a cellular Lck-dependent proliferation assay and are capable of inhibiting Lck at single-digit nanomolar concentrations. This scaffold is likely to serve a valuable template for developing potent inhibitors of a number of SFKs. (C) 2009 Elsevier Ltd. All rights reserved.