N'-[2-[2-(4-甲氧基苯基)乙烯基]-4-喹唑啉基]-N，N-二甲基-1,3-丙二胺二盐酸盐 | 1217195-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: N'-[2-[2-(4-甲氧基苯基)乙烯基]-4-喹唑啉基]-N，N-二甲基-1,3-丙二胺二盐酸盐
• 中文别名: N'-[2-[2-(4-甲氧基苯基)乙烯基]-4-喹唑啉基]-N,N-二甲基-1,3-丙二胺二盐酸盐水合物；N1-(2-(4-甲氧基苯乙烯基)喹唑啉-4-基)-N3,N3-二甲基丙烷-1,3-二胺二盐酸盐
• 英文名称: CP 31398 Dihydrochloride
• 英文别名: N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
• CAS: 1217195-61-3
• 化学式: C22H28Cl2N4O
• 分子量: 435.4
• InChiKey: WWIFDJIOGCGSBS-IVKCLRODSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.02
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  50.3
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• 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.
• USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES
  申请人：BACHA Jeffrey A.

  公开号：US20190175541A1

  公开（公告）日：2019-06-13

  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 OR ANALOGS AND DERIVATIVES IN COMBINATION WITH VEGF INHIBITORS TO TREAT CANCER
  申请人：DEL MAR PHARMACEUTICALS (BC) LTD.

  公开号：US20200062839A1

  公开（公告）日：2020-02-27

  Methods and compositions employing dianhydrogalactitol or a derivative or analog of dianhydrogalactitol together with a vascular endothelial growth factor (VEGF) inhibitor or other anti-neoplastic agents can be used for treatment of glioma. In particular, methods and compositions according to the invention can decrease the invasiveness of gliomas. Further disclosed are methods of using the compositions for treating a malignancy that has failed a VEGF inhibitor treatment.
• [EN] USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE<br/>[FR] UTILISATION DE DIANHYDROGALACTITOL OU DE DÉRIVÉS ET D'ANALOGUES DE CELUI-CI POUR LE TRAITEMENT D'UN CARCINOME NON À PETITES CELLULES, D'UN GLIOBLASTOME ET D'UN CARCINOME DE L'OVAIRE PAR INDUCTION DE LÉSIONS DE L'ADN ET BLOCAGE DU CYCLE CELLULAIRE
  申请人：DEL MAR PHARMACEUTICALS

  公开号：WO2017042634A2

  公开（公告）日：2017-03-16

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of glioblastoma, non-small-cell lung carcinoma (NSCLC) and ovarian cancer, as well as other types of malignancy, including brain metastases of NSCLC. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N7 methylation and inter-strand crosslinks 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 and can possess additive or synergistic effects. Dianhydrogalactitol can be used for treatment of leptomeningeal carcinomatosis.
• [EN] USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES<br/>[FR] UTILISATION DE DIANHYDROGALACTITOL OU DES DÉRIVÉS OU ANALOGUES DE CELUI-CI POUR LE TRAITEMENT DE TUMEURS MALIGNES DU SYSTÈME NERVEUX CENTRAL PÉDIATRIQUE
  申请人：DELMAR PHARMACEUTICALS INC

  公开号：WO2017075052A1

  公开（公告）日：2017-05-04

  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 N7 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.