NU 1036

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: NU 1036
• 英文别名: 3-(4-trifluoromethylbenzyloxy)benzamide；3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
• 化学式: C₁₅H₁₂F₃NO₂
• 分子量: 295.261
• InChiKey: BKWJCUQLQKUCEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-羟基苯甲酰胺 、 1-溴-三氟对二甲苯 在 potassium carbonate 作用下， 以 水 、 乙腈 为溶剂， 生成 NU 1036
  参考文献：
  名称：

  Benzamide analogs useful as PARP (ADP-ribosyltransferase, ADPRT) DNA

  摘要：

  揭示了一系列3-氧苯甲酰胺化合物和相关的喹唑啉酮化合物，它们可以作为DNA修复酶聚(ADP-核糖)聚合酶或PARP酶（EC 2.4.2.30）的有效抑制剂，并且因此可以提供用于与损伤DNA的细胞毒性药物或放疗结合使用以增强后者效果的有用治疗化合物。所披露的化合物包括3-苄氧基苯甲酰胺、3-氧基苯甲酰胺，其中5个或更多亚甲基基团的链以卤原子或吡嗪-9-基团结尾，某些苯并噁唑-4-甲酰胺化合物和某些喹唑啉酮化合物。在公式X和Y中，X和Y一起可以形成代表基团(a)、(b)或(c)的桥--X--Y--，其中R.sup.5为H、烷基、芳基或芳基烷基。

  公开号：

  US05756510A1

文献信息

• Benzoxazole-4-carboxamides and their use in inhibiting poly (adp-ribose)
  申请人：Newcastle University Ventures Limited

  公开号：US06015827A1

  公开（公告）日：2000-01-18

  Benzoxazole carboxamides are disclosed which can act as potent inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase or PARP enzyme (EC 2.4.2.30), and which thereby can provide useful therapeutic compounds for use in conjunction with DNA-damaging cytotoxic drugs or radiotherapy to potentiate the effects of the latter. Representative of the compounds are 2-methyl, 2-t-butyl, 2-phenyl or 2-(4-methoxyphenyl) benzoxazole-4-carboxamide.

  本文披露了苯并噁唑羧酰胺，可作为DNA修复酶聚(ADP核糖)聚合酶或PARP酶(EC 2.4.2.30)的有效抑制剂，从而可提供有用的治疗化合物，用于与破坏DNA的细胞毒性药物或放疗结合使用，以增强后者的效果。该化合物的代表是2-甲基、2-t-丁基、2-苯基或2-(4-甲氧基苯基)苯并噁唑-4-羧酰胺。
• BENZAMIDE ANALOGS, USEFUL AS PARP (ADP-RIBOSYLTRANSFERASE, ADPRT) DNA REPAIR ENZYME INHIBITORS
  申请人：NEWCASTLE UNIVERSITY VENTURES LIMITED

  公开号：EP0749415A1

  公开（公告）日：1996-12-27
• 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.
• US5756510A
  申请人：——

  公开号：US5756510A

  公开（公告）日：1998-05-26