2-[4-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)piperazin-1-yl]-N-pyridin-3-ylacetamide | 1449693-40-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[4-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)piperazin-1-yl]-N-pyridin-3-ylacetamide
• 英文别名: 2-[4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazin-1-yl]-N-pyridin-3-ylacetamide
• CAS: 1449693-40-6
• 化学式: C₁₉H₂₄N₆O₂
• 分子量: 368.439
• InChiKey: JKQWHGUGGRLRQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  89.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-ylamine 在 三乙胺 、 三氟乙酸 、 亚硝酸异戊酯 作用下， 以 异戊醇 、 氯仿 为溶剂， 反应 6.0h， 生成 2-[4-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)piperazin-1-yl]-N-pyridin-3-ylacetamide
  参考文献：
  名称：

  [EN] TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS
  [FR] DÉRIVÉS TÉTRAHYDRO-QUINAZOLINONE COMME INHIBITEURS DE TANK ET DE PARP

  摘要：

  公开号：

  WO2013117288A8

文献信息

• TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS
  申请人：MERCK PATENT GMBH

  公开号：US20150025071A1

  公开（公告）日：2015-01-22

  Compounds of the formula I in which U, V and W have the meanings indicated in claim 1 , are inhibitors of Tankyrase, and can be employed, inter alia, for the treatment of diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation.

  公式I的化合物中，U、V和W的含义如权利要求1所示，是Tankyrase的抑制剂，可用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。
• Tetrahydro-quinazolinone derivatives as TANK and PARP inhibitors
  申请人：MERCK PATENT GMBH

  公开号：US09339503B2

  公开（公告）日：2016-05-17

  Compounds of the formula I in which U, V and W have the meanings indicated in Claim 1, are inhibitors of Tankyrase, and can be employed, inter alia, for the treatment of diseases such as cancer, cardiovascular diseases, central nervous system injury and different forms of inflammation.

  公式I的化合物中，U、V和W的含义如权利要求书1所示，是Tankyrase的抑制剂，可以用于治疗癌症、心血管疾病、中枢神经系统损伤和不同形式的炎症等疾病。
• 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.
• US9339503B2
  申请人：——

  公开号：US9339503B2

  公开（公告）日：2016-05-17