[(3aR,4R,6R,6aR)-6-[6-(aminomethyl)-9H-purine-9-yl]-2,2-dimethyltetrahyrofuro[3,4-d][1,3]dioxol-4-yl]methyl tritylsulfamate | 905581-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: [(3aR,4R,6R,6aR)-6-[6-(aminomethyl)-9H-purine-9-yl]-2,2-dimethyltetrahyrofuro[3,4-d][1,3]dioxol-4-yl]methyl tritylsulfamate
• 英文别名: {(3aR,4R,6R,6aR)-6-[6-(aminomethyl)-9H-purin-9-yl]-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl}methyl tritylsulfamate；[(3aR,4R,6R,6aR)-4-[6-(aminomethyl)purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl N-tritylsulfamate
• CAS: 905581-47-7
• 化学式: C₃₃H₃₄N₆O₆S
• 分子量: 642.736
• InChiKey: ZPOKOUUIJNBOQY-PYXCEVMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  烟酰氯 、 [(3aR,4R,6R,6aR)-6-[6-(aminomethyl)-9H-purine-9-yl]-2,2-dimethyltetrahyrofuro[3,4-d][1,3]dioxol-4-yl]methyl tritylsulfamate 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以40%的产率得到[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[6-{[(pyridin-3-ylcarbonyl)amino]methyl}-9H-purine-9-yl]tetrahyrofuro[3,4-d][1,3]dioxol-4-yl]methyl tritylsulfamate
  参考文献：
  名称：

  WO2006/84281

  摘要：

  公开号：
• 作为产物：
  描述：

  [(3aR,4R,6R,6aR)-6-{6-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl]-9H-purine-9-yl}-2,2-dimethyltetrahyrofuro[3,4-d][1,3]dioxol-4-yl]-methyl tritylsulfamate 在 乙醇 、 肼 作用下， 反应 0.75h， 以92%的产率得到[(3aR,4R,6R,6aR)-6-[6-(aminomethyl)-9H-purine-9-yl]-2,2-dimethyltetrahyrofuro[3,4-d][1,3]dioxol-4-yl]methyl tritylsulfamate
  参考文献：
  名称：

  WO2006/84281

  摘要：

  公开号：

文献信息

• Inhibitors of E1 activating enzymes
  申请人：Critchley Stephen

  公开号：US20060189636A1

  公开（公告）日：2006-08-24

  This invention relates to compounds that inhibit E1 activating enzymes, pharmaceutical compositions comprising the compounds, and methods of using the compounds. The compounds are useful for treating disorders, particularly cell proliferation disorders, including cancers, inflammatory and neurodegenerative disorders; and inflammation associated with infection and cachexia.

  本发明涉及抑制E1激活酶的化合物，包括该化合物的制药组合物和使用该化合物的方法。该化合物对于治疗疾病特别是细胞增殖性疾病，包括癌症，炎症和神经退行性疾病；以及与感染和消瘦相关的炎症具有用处。
• Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US07951810B2

  公开（公告）日：2011-05-31

  This invention relates to compounds of formula (I-A) wherein Ring A and the variables X, Y, R3a, R3b, R3c, R3d, R4, R5, R5′, and m are defined herein. The compounds of formula (I-A) inhibit E1 activating enzymes, pharmaceutical compositions comprising the compounds, and methods of using the compounds. The compounds of the invention are useful for treating disorders, particularly cell proliferation disorders, including cancers, inflammatory and neurodegenerative disorders; and inflammation associated with infection and cachexia.

  本发明涉及式(I-A)化合物，其中环A和变量X、Y、R3a、R3b、R3c、R3d、R4、R5、R5'和m在此定义。式(I-A)化合物抑制E1激活酶，包括该化合物的制药组合物和使用该化合物的方法。本发明的化合物可用于治疗疾病，特别是细胞增殖性疾病，包括癌症、炎症和神经退行性疾病；以及与感染和消瘦相关的炎症。
• INHIBITORS OF E1 ACTIVATING ENZYMES
  申请人：Critchley Stephen

  公开号：US20110136834A1

  公开（公告）日：2011-06-09

  This invention relates to compounds that inhibit E1 activating enzymes, pharmaceutical compositions comprising the compounds, and methods of using the compounds. The compounds are useful for treating disorders, particularly cell proliferation disorders, including cancers, inflammatory and neurodegenerative disorders; and inflammation associated with infection and cachexia.

  本发明涉及抑制E1激活酶的化合物、包含该化合物的药物组合物以及使用该化合物的方法。该化合物可用于治疗疾病，特别是细胞增殖障碍，包括癌症、炎症和神经退行性疾病；以及与感染和消瘦相关的炎症。
• SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：US20130338094A1

  公开（公告）日：2013-12-19

  The present disclosure relates to compounds of formula (I-A) using the compounds wherein Ring A and the variables X, Y, R 3a , R 3b , R 3c , R 3d , R 4 , R 5 , R 5′ , and m are defined herein, to pharmaceutical compositions comprising the compounds, and methods of using the compounds.

  本公开涉及使用式(I-A)的化合物，其中使用化合物的环A和变量X、Y、R3a、R3b、R3c、R3d、R4、R5、R5'和m在此定义，以及包含该化合物的制药组合物和使用该化合物的方法。
• SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES
  申请人：MILLENNIUM PHARMACEUTICALS, INC.

  公开号：US20160194348A1

  公开（公告）日：2016-07-07

  This invention relates to compounds that inhibit E1 activating enzymes, pharmaceutical compositions comprising the compounds, and methods of using the compounds. The compounds are useful for treating disorders, particularly cell proliferation disorders, including cancers, inflammatory and neurodegenerative disorders; and inflammation associated with infection and cachexia.

  本发明涉及抑制E1激活酶的化合物、包含这些化合物的药物组合物以及使用这些化合物的方法。这些化合物对于治疗疾病特别是细胞增殖性疾病，包括癌症、炎症和神经退行性疾病以及与感染和消瘦相关的炎症非常有用。