N4-(4-aminomethyl-cyclohexylmethyl)-5-nitro-N2-(1-phenyl-cyclopropyl)-pyrimidine-2,4-diamine | 736050-40-1

• 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-cyclohexylmethyl)-5-nitro-N2-(1-phenyl-cyclopropyl)-pyrimidine-2,4-diamine
• 英文别名: 4-N-[[4-(aminomethyl)cyclohexyl]methyl]-5-nitro-2-N-(1-phenylcyclopropyl)pyrimidine-2,4-diamine
• CAS: 736050-40-1
• 化学式: C₂₁H₂₈N₆O₂
• 分子量: 396.492
• InChiKey: XAXGLQAEDIVRSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  7

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
• COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR
  申请人：University of Canberra

  公开号：EP3185858A1

  公开（公告）日：2017-07-05
• US7550473B2
  申请人：——

  公开号：US7550473B2

  公开（公告）日：2009-06-23
• [EN] COMPOSITIONS FOR MODULATING CANCER STEM CELLS AND USES THEREFOR<br/>[FR] COMPOSITIONS POUR MODULER LES CELLULES SOUCHES CANCÉREUSES ET LEURS UTILISATIONS
  申请人：UNIV CANBERRA

  公开号：WO2016029262A1

  公开（公告）日：2016-03-03

  Disclosed are compositions and methods for modulating cancer stem cells. More particularly, the present invention discloses the use of lysine demethylase (LSD) inhibitors and protein kinase C theta inhibitors (PKC-θ) for inhibiting the growth of LSD- and/or PKC-θ-overexpressing cells including cancer stem cells, for enhancing the biological effects of chemotherapeutic drugs or irradiation on cancer cells, for treating cancer, including non-metastatic and metastatic cancer and/or for preventing cancer recurrence.