N4-{[4-(aminomethyl)cyclohexyl]methyl}-N2-(2,3-difluoro-4-methylbenzyl)-5-nitropyrimidine-2,4-diamine | 736051-44-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: N4-{[4-(aminomethyl)cyclohexyl]methyl}-N2-(2,3-difluoro-4-methylbenzyl)-5-nitropyrimidine-2,4-diamine
• 英文别名: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-2-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-nitropyrimidine-2,4-diamine
• CAS: 736051-44-8
• 化学式: C₂₀H₂₆F₂N₆O₂
• 分子量: 420.462
• InChiKey: QRJJAHGZWHQUJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA
  申请人：Boehringer Ingelheim Pharmaceuticals Inc.

  公开号：EP1590334B1

  公开（公告）日：2009-08-19
• IMMUNOGENIC COMPOSITIONS AND USES THEREFOR
  申请人：Epiaxis Therapeutics Pty Ltd

  公开号：US20200282010A1

  公开（公告）日：2020-09-10

  The present invention discloses the use of protein kinase C (PKC-θ) inhibitors for enhancing the immune effector function of functionally repressed T-cells that have undergone epithelial to mesenchymal transition (EMT). In specific embodiments, PKC-θ inhibitors are disclosed for use in enhancing susceptibility of exhausted T-cells to reinvigoration by PD-1 binding antagonists. The compositions of the present invention find utility in treating a range of disorders including T-cell dysfunctional disorders such as pathogenic infections and hyperproliferative disorders.
• US7550473B2
  申请人：——

  公开号：US7550473B2

  公开（公告）日：2009-06-23