8-[4-(3-chloro-benzoyl)-[1,4]diazepan-1-ylmethyl]-2,9-dihydro-1,2,7,9-tetraaza-phenalen-3-one | 1140964-89-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 8-[4-(3-chloro-benzoyl)-[1,4]diazepan-1-ylmethyl]-2,9-dihydro-1,2,7,9-tetraaza-phenalen-3-one
• 英文别名: 8-[4-(3-Chloro-benzoyl)-[1,4]diazepan-1-ylmethyl]-2,9-dihydro-1,2,7,9-tetraaza-phenalen-3-one；11-[[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methyl]-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8,11-pentaen-4-one
• CAS: 1140964-89-1
• 化学式: C₂₂H₂₁ClN₆O₂
• 分子量: 436.901
• InChiKey: NUXDIRYBSBDRSD-UHFFFAOYSA-N

物化性质

• 密度：
  1.51±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  89.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-[1,4]diazepan-1-ylmethyl-2,9-dihydro-1,2,7,9-tetraaza-phenalen-3-one trifluoroacetate 、 3-氯苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以16%的产率得到8-[4-(3-chloro-benzoyl)-[1,4]diazepan-1-ylmethyl]-2,9-dihydro-1,2,7,9-tetraaza-phenalen-3-one
  参考文献：
  名称：

  PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE

  摘要：

  本发明涉及四氮杂苯并-3-酮化合物，其抑制聚(ADP-核糖)聚合酶(PARP)并在化疗敏感性中有用。周围神经病是许多传统和新型化疗药物的常见副作用。本发明进一步提供可靠预防或治愈化疗诱导的神经病的方法。本发明还涉及使用所披露的PARP抑制剂化合物来增强化疗药物如替莫唑胺的疗效。本发明还涉及使用所披露的PARP抑制剂化合物来使肿瘤细胞对电离辐射产生放射敏化作用。本发明还涉及使用所披露的PARP抑制剂化合物治疗DNA修复缺陷的癌症。

  公开号：

  US20090098084A1

文献信息

• PARP inhibitor compounds, compositions and methods of use
  申请人：Eisai Inc.

  公开号：US08236802B2

  公开（公告）日：2012-08-07

  The present invention relates to tetraaza phenalen-3-one compounds which inhibit poly (ADP-ribose) polymerase (PARP) and are useful in the chemosensitization of cancer therapeutics. The induction of peripheral neuropathy is a common side-effect of many of the conventional and newer chemotherapies. The present invention further provides means to reliably prevent or cure chemotherapy-induced neuropathy. The invention also relates to the use of the disclosed PARP inhibitor compounds in enhancing the efficacy of chemotherapeutic agents such as temozolomide. The invention also relates to the use of the disclosed PARP inhibitor compounds to radiosensitize tumor cells to ionizing radiation. The invention also relates to the use of the disclosed PARP inhibitor compounds for treatment of cancers with DNA repair defects.

  本发明涉及四氮杂苯并[3-一]酮化合物，其抑制多聚(ADP-核糖)聚合酶（PARP）并可用于增强癌症治疗的化疗敏感性。周围神经病变的诱导是许多传统和新型化疗药物的常见副作用。本发明进一步提供了可靠地预防或治愈化疗诱导的神经病变的手段。本发明还涉及使用所披露的PARP抑制剂化合物增强类似替莫唑胺等化疗药物的疗效。本发明还涉及使用所披露的PARP抑制剂化合物使肿瘤细胞对电离辐射具有放射增敏作用。本发明还涉及使用所披露的PARP抑制剂化合物治疗DNA修复缺陷的癌症。
• US8236802B2
  申请人：——

  公开号：US8236802B2

  公开（公告）日：2012-08-07
• US8894989B2
  申请人：——

  公开号：US8894989B2

  公开（公告）日：2014-11-25
• [EN] PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS INHIBITEURS DE LA PARP, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：MGI GP INC

  公开号：WO2009046205A1

  公开（公告）日：2009-04-09

  The present invention relates to tetraaza phenalen-3-one compounds which inhibit poly (ADP-ribose) polymerase (PARP) and are useful in the chemosensitization of cancer therapeutics. The induction of peripheral neuropathy is a common side-effect of many of the conventional and newer chemotherapies. The present invention further provides means to reliably prevent or cure chemotherapy- induced neuropathy. The invention also relates to the use of the disclosed PARP inhibitor compounds in enhancing the efficacy of chemotherapeutic agents such as temozolomide. The invention also relates to the use of the disclosed PARP inhibitor compounds to radiosensitize tumor cells to ionizing radiation. The invention also relates to the use of the disclosed PARP inhibitor compounds for treatment of cancers with DNA repair defects.
• PARP INHIBITOR COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Xu Weizheng

  公开号：US20090098084A1

  公开（公告）日：2009-04-16

  The present invention relates to tetraaza phenalen-3-one compounds which inhibit poly (ADP-ribose) polymerase (PARP) and are useful in the chemosensitization of cancer therapeutics. The induction of peripheral neuropathy is a common side-effect of many of the conventional and newer chemotherapies. The present invention further provides means to reliably prevent or cure chemotherapy-induced neuropathy. The invention also relates to the use of the disclosed PARP inhibitor compounds in enhancing the efficacy of chemotherapeutic agents such as temozolomide. The invention also relates to the use of the disclosed PARP inhibitor compounds to radiosensitize tumor cells to ionizing radiation. The invention also relates to the use of the disclosed PARP inhibitor compounds for treatment of cancers with DNA repair defects.

  本发明涉及四氮杂苯并-3-酮化合物，其抑制聚(ADP-核糖)聚合酶(PARP)并在化疗敏感性中有用。周围神经病是许多传统和新型化疗药物的常见副作用。本发明进一步提供可靠预防或治愈化疗诱导的神经病的方法。本发明还涉及使用所披露的PARP抑制剂化合物来增强化疗药物如替莫唑胺的疗效。本发明还涉及使用所披露的PARP抑制剂化合物来使肿瘤细胞对电离辐射产生放射敏化作用。本发明还涉及使用所披露的PARP抑制剂化合物治疗DNA修复缺陷的癌症。