benzyl 3-(4-carbamoyl-1H-benzo[d]imidazol-2-yl)-3,4-dihydroisoquinoline-2-(1H)-carboxylate | 1260502-37-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: benzyl 3-(4-carbamoyl-1H-benzo[d]imidazol-2-yl)-3,4-dihydroisoquinoline-2-(1H)-carboxylate
• 英文别名: benzyl 3-(4-carbamoyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 1260502-37-1
• 化学式: C₂₅H₂₂N₄O₃
• 分子量: 426.475
• InChiKey: MPVWZVJCGASEKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl 3-(4-carbamoyl-1H-benzo[d]imidazol-2-yl)-3,4-dihydroisoquinoline-2-(1H)-carboxylate 在 钯 氢气 、 乙醚 作用下， 以 甲醇 为溶剂， 25.0 ℃ 、13.51 MPa 条件下， 反应 2.0h， 以to afford 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1H-benzo[d]imidazole-4-carboxamide的产率得到2-(1,2,3,4-tetrahydroisoquinolin-3yl)-1H-benzo[d]imidazole-4-carboxamide
  参考文献：
  名称：

  Small molecule inhibitors of PARP activity

  摘要：

  提供抑制多聚腺苷酸核糖合酶（PARP）活性的化合物和药物组合物。这些化合物在治疗各种疾病、状况和损伤方面非常有用，例如中风、心肌梗死、各种器官的缺血再灌注损伤、创伤性脑损伤、动脉粥样硬化、炎症性疾病和癌症。

  公开号：

  US08513433B2
• 作为产物：
  描述：

  2-[(苄氧基)羰基]-1,2,3,4-四氢异喹啉-3-羧酸 在 1-羟基苯并三唑 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 benzyl 3-(4-carbamoyl-1H-benzo[d]imidazol-2-yl)-3,4-dihydroisoquinoline-2-(1H)-carboxylate
  参考文献：
  名称：

  [EN] SMALL MOLECULE INHIBITORS OF PARP ACTIVITY
  [FR] INHIBITEURS À PETITE MOLÉCULE DE L'ACTIVITÉ DE PARP

  摘要：

  公开号：

  WO2011002520A3

文献信息

• Small molecule inhibitors of PARP activity
  申请人：Panicker Bijoy

  公开号：US08513433B2

  公开（公告）日：2013-08-20

  Compounds and pharmaceutical compositions are provided that inhibit the activity of poly ADP-ribose synthetase (PARP). Such compounds are useful in the treatment of various diseases, conditions and injuries such as stroke, myocardial infarction, ischemia-perfusion injury in various organs, traumatic brain injury, atherosclerosis, inflammatory diseases and cancer.

  提供抑制多聚腺苷酸核糖合酶（PARP）活性的化合物和药物组合物。这些化合物在治疗各种疾病、状况和损伤方面非常有用，例如中风、心肌梗死、各种器官的缺血再灌注损伤、创伤性脑损伤、动脉粥样硬化、炎症性疾病和癌症。
• USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES
  申请人：DelMar Pharmaceuticals, Inc.

  公开号：US20180071244A1

  公开（公告）日：2018-03-15

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of malignancies of the central nervous system in pediatric patients, including glioblastoma multiforme (GBM) high grade glioma, and medulloblastoma. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N 7 methylation and that can induce double-stranded breaks in DNA. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and tyrosine kinase inhibitors; the drug acts independently of the MGMT repair mechanism. Dianhydrogalactitol can be used together with other anti-neoplastic agents (e.g. cisplatin) and can possess additive or super-additive effects.
• USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER
  申请人：Bacha Jeffrey A.

  公开号：US20190091195A1

  公开（公告）日：2019-03-28

  Substituted hexitol derivatives such as dianhydrogalactitol are useful in the treatment of various neoplastic pathologies. Said pathologies include glioblastoma multiforme, non-small-cell lung carcinoma (NSCLC), ovarian cancer, and leptomeningeal carcinomatosis. The anti-neoplastic activity of dianhydrogalactitol is demonstrated to be due to its activity as an alkylating agent that creates N 7 methylation and inter-strand DNA crosslinks. The hexitol derivatives may be used alone or in combination with other anti-neoplastic agents.
• US8513433B2
  申请人：——

  公开号：US8513433B2

  公开（公告）日：2013-08-20
• [EN] SMALL MOLECULE INHIBITORS OF PARP ACTIVITY<br/>[FR] INHIBITEURS À PETITE MOLÉCULE DE L'ACTIVITÉ DE PARP
  申请人：ANGION BIOMEDICA CORP

  公开号：WO2011002520A3

  公开（公告）日：2011-05-26