1-(3-((((1R,2R,3S,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl)methyl)(methyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea | 1379540-45-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1-(3-((((1R,2R,3S,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl)methyl)(methyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea
• 英文别名: 1-[3-[[(1R,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea
• CAS: 1379540-45-0
• 化学式: C₂₆H₃₈N₈O₃
• 分子量: 510.64
• InChiKey: YCDFCOQSQWFGJR-OJWCNPDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  154
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(3-((((3aR,4R,6R,6aS)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methyl)(methyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea 在 水 、 三氟乙酸 作用下， 反应 1.5h， 以100%的产率得到1-(3-((((1R,2R,3S,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl)methyl)(methyl)amino)propyl)-3-(4-(tert-butyl)phenyl)urea
  参考文献：
  名称：

  [EN] CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS
  [FR] PURINE SUBSTITUÉE PAR UN CARBOCYCLE ET COMPOSÉS DE 7-DÉAZAPURINE

  摘要：

  公开号：

  WO2012075492A3

文献信息

• Carbocycle-Substituted Purine And 7-Deazapurine Compounds
  申请人：Olhava Edward J.

  公开号：US20130338173A1

  公开（公告）日：2013-12-19

  The present invention relates to carbocycle-substituted purine and 7-deazapurine compounds. The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating disorders in which DOT1-mediated protein methylation plays a part, such as cancer and neurological disorders, by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及碳环取代的嘌呤和7-脱氮嘌呤化合物。本发明还涉及含有这些化合物的药物组合物以及通过向需要这些化合物和药物组合物的受试者施用这些化合物和药物组合物来治疗DOT1介导的蛋白质甲基化参与的疾病，例如癌症和神经系统疾病的方法。
• Carbocycle-substituted purine and 7-deazapurine compounds
  申请人：Olhava Edward J.

  公开号：US09394310B2

  公开（公告）日：2016-07-19

  The present invention relates to carbocycle-substituted purine and 7-deazapurine compounds of Formula (I). The present invention also relates to pharmaceutical compositions containing these compounds and methods of treating disorders in which DOT1-mediated protein methylation plays a part, such as cancer and neurological disorders, by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及式(I)的含有碳环取代嘌呤和7-去氮嘌呤化合物。本发明还涉及含有这些化合物的药物组合物以及通过向需要这些化合物和药物组合物的受试者施用这些化合物和药物组合物来治疗DOT1介导的蛋白质甲基化参与的疾病，例如癌症和神经系统疾病的方法。
• CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS
  申请人：Epizyme, Inc.

  公开号：EP2646441B1

  公开（公告）日：2015-12-02
• INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES
  申请人：Children's Medical Center Corporation

  公开号：US20140242046A1

  公开（公告）日：2014-08-28

  Methods and compositions are provided for the production of stem cells and induced pluripotent stem cells, and for uses thereof.
• Combination Therapy for Treating Cancer
  申请人：Epizyme, Inc.

  公开号：US20140323421A1

  公开（公告）日：2014-10-30

  The present invention relates to compositions comprising inhibitors of human histone methyltransferase DOT1L and one or more therapeutic agents, particularly anticancer agents, and methods of combination therapy for administering to subjects in need thereof for the treatment of cancer.