3,7-dihydro-3-[(4-methoxyphenyl)methyl]-7-[(2-chlorophenyl)methyl]-2H-diimidazo[4,5-d:4',5'-f][1,3]diazepin-2-one | 1220095-25-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑二氮卓类
• 英文名称: 3,7-dihydro-3-[(4-methoxyphenyl)methyl]-7-[(2-chlorophenyl)methyl]-2H-diimidazo[4,5-d:4',5'-f][1,3]diazepin-2-one
• 英文别名: 11-[(2-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
• CAS: 1220095-25-9
• 化学式: C₂₂H₁₇ClN₆O₂
• 分子量: 432.869
• InChiKey: KESMXVSXCABDTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  84.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-amino-1-(2-chlorobenzyl)-4-cyanoformimidoylimidazole 在 硫酸 作用下， 以 水 、 乙腈 为溶剂， 反应 8.5h， 生成 3,7-dihydro-3-[(4-methoxyphenyl)methyl]-7-[(2-chlorophenyl)methyl]-2H-diimidazo[4,5-d:4',5'-f][1,3]diazepin-2-one
  参考文献：
  名称：

  包含三环5：7：5-融合二咪唑二氮杂卓环系统的新型广谱抗癌药。

  摘要：

  报道了一系列新颖的，广谱的抗癌药，其中包含三环5：7：5-稠合的二咪唑并[4,5-d：4'，5'-f] [1,3]二氮杂ze环系统。该系列中的化合物1、2、8、11和12显示出有希望的体外抗肿瘤活性，且低微摩尔IC（50）对前列腺癌，肺癌，乳腺癌和卵巢癌细胞系具有抗性。提出了一些关于构效关系和生物活性可能机制的概念。还介绍了使用SCID小鼠对1的初步体内毒性研究。

  DOI：

  10.1021/ml100281b

文献信息

• Fused Diimidazodiazepine Compounds and Methods of Use and Manufacture Thereof
  申请人：Hosmane Ramachandra S.

  公开号：US20110275588A1

  公开（公告）日：2011-11-10

  The invention encompasses novel compounds and pharmaceutically acceptable salts thereof and compositions including therapeutically or prophylactically effective amounts of such compounds or pharmaceutically acceptable salts thereof. The invention also encompasses methods for treating or preventing diseases and disorders associated abnormal cell growth, for example, treating or preventing cancer or tumor growth, which methods include administering to a mammal in need thereof a composition comprising a therapeutically or prophylactically effective amount of a compound of the invention or a pharmaceutically acceptable salt thereof.

  本发明涵盖了新型化合物及其药学上可接受的盐和包含这些化合物或其药学上可接受的盐的治疗或预防有效量的组合物。本发明还涵盖了用于治疗或预防与异常细胞生长相关的疾病和疾病的方法，例如，治疗或预防癌症或肿瘤生长的方法，其中包括向需要治疗的哺乳动物投与本发明化合物或其药学上可接受的盐的治疗或预防有效量的组合物。
• Fused diimidazodiazepine compounds and methods of use and manufacture thereof
  申请人：Hosmane Ramachandra S.

  公开号：US08518901B2

  公开（公告）日：2013-08-27

  The invention encompasses novel compounds and pharmaceutically acceptable salts thereof and compositions including therapeutically or prophylactically effective amounts of such compounds or pharmaceutically acceptable salts thereof. The invention also encompasses methods for treating or preventing diseases and disorders associated abnormal cell growth, for example, treating or preventing cancer or tumor growth, which methods include administering to a mammal in need thereof a composition comprising a therapeutically or prophylactically effective amount of a compound of the invention or a pharmaceutically acceptable salt thereof.

  该发明涵盖了新型化合物及其药学上可接受的盐和组合物，其中包括这些化合物或其药学上可接受的盐的治疗或预防有效量。该发明还包括用于治疗或预防与异常细胞生长相关的疾病和疾病的方法，例如，治疗或预防癌症或肿瘤生长的方法，其中包括向需要的哺乳动物注射该发明的化合物或其药学上可接受的盐的治疗或预防有效量的组合物。
• [EN] FUSED DIIMIDAZODIAZEPINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE THEREOF<br/>[FR] COMPOSÉS DIIMIDAZODIAZÉPINE FUSIONNÉS ET LEURS MÉTHODES D'UTILISATION ET DE FABRICATION
  申请人：UNIV MARYLAND

  公开号：WO2010039187A3

  公开（公告）日：2010-06-17
• FUSED DIIMIDAZODIAZEPINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE THEREOF
  申请人：The Johns Hopkins University

  公开号：EP2350086B1

  公开（公告）日：2021-04-21
• DDX3 AS A BIOMARKER FOR CANCER AND METHODS RELATED THERETO
  申请人：The Johns Hopkins University

  公开号：US20130281440A1

  公开（公告）日：2013-10-24

  The invention encompasses methods for treating or preventing diseases and disorders associated abnormal cell growth, for example, treating or preventing cancer or tumor growth, by administering to a subject in need thereof a composition comprising a therapeutically or prophylactically effective amount of a compound that downregulates DDX3, for example a fused diimidazodiazepine ring compound or a pharmaceutically acceptable salt thereof. The invention also encompasses the use of DDX3 as a biomarker for diagnostic and treatment purposes, for example, to identify a hyperproliferative disorder susceptible to treatment by down regulation of DDX3.