(R)-2'-chloro-9'-(3,3-difluorocyclopentyl)-5'-methyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one | 1117936-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 嘧啶二氮卓类
• 英文名称: (R)-2'-chloro-9'-(3,3-difluorocyclopentyl)-5'-methyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one
• 英文别名: 2-chloro-9-[(1R)-3,3-difluorocyclopentyl]-5-methylspiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropane]-6-one
• CAS: 1117936-75-0
• 化学式: C₁₅H₁₇ClF₂N₄O
• 分子量: 342.776
• InChiKey: OVJDNTKJYTXQDX-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  49.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-amino-N-cyclopropyl-3-methoxybenzamide 、 (R)-2'-chloro-9'-(3,3-difluorocyclopentyl)-5'-methyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 18.0h， 以33%的产率得到(R)-N-cyclopropyl-4-(9'-(3,3-difluorocyclopentyl)-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepine]-2'-ylamino)-3-methoxybenzamide
  参考文献：
  名称：

  [EN] 4-(9-(3, 3-DIFLUOROCYCLOPENTYL) -5, 7, 7-TRIMETHYL-6-OXO-6, 7, 8, 9-TETRAHYDRO-5H-PYRIMIDO [4, 5-B[1, 4] DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DIS
  [FR] COMPOSÉS UTILISÉS COMME INHIBITEURS DE PROTÉINES KINASES

  摘要：

  公开号：

  WO2009023269A3
• 作为产物：
  描述：

  (R)-2'-chloro-9'-(3,3-difluorocyclopentyl)-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[4,5-b] [1,4]diazepin]-6'(5'H)-one 、 碘甲烷 在 sodium hydride 作用下， 以 异丁酰胺 为溶剂， 反应 0.42h， 以92%的产率得到(R)-2'-chloro-9'-(3,3-difluorocyclopentyl)-5'-methyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one
  参考文献：
  名称：

  [EN] 4-(9-(3, 3-DIFLUOROCYCLOPENTYL) -5, 7, 7-TRIMETHYL-6-OXO-6, 7, 8, 9-TETRAHYDRO-5H-PYRIMIDO [4, 5-B[1, 4] DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DIS
  [FR] COMPOSÉS UTILISÉS COMME INHIBITEURS DE PROTÉINES KINASES

  摘要：

  公开号：

  WO2009023269A3

文献信息

• Compounds Useful as Protein Kinase Inhibitors
  申请人：Pierard Francoise

  公开号：US20110263575A1

  公开（公告）日：2011-10-27

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含上述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、病症或障碍的方法。
• Compounds useful as protein kinase inhibitors
  申请人：Pierard Francoise

  公开号：US08461149B2

  公开（公告）日：2013-06-11

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含所述化合物的药学上可接受的组成物以及使用所述组成物治疗各种疾病、状况或障碍的方法。
• COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20140018352A1

  公开（公告）日：2014-01-16

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含所述化合物的药学上可接受的组合物，以及使用所述组合物治疗各种疾病、病况或障碍的方法。
• COMPOUNDS USEFUL AS PROTEIN KINASES INHIBITORS
  申请人：Vertex Pharmceuticals Incorporated

  公开号：EP2190849A2

  公开（公告）日：2010-06-02
• 4-(9-(3,3-DIFLUOROCYCLOPENTYL)-5,7,7-TRIMETHYL-6-OXO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-B[1,4]DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2190849B1

  公开（公告）日：2013-11-20