3-(3-bromobenzyl)-1-(4-methoxybenzyl)-7-chloro-5-(4-methoxyphenyl)-1H-benzo[e][1,4]-diazepin-2(3H)-one | 1059065-61-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3-(3-bromobenzyl)-1-(4-methoxybenzyl)-7-chloro-5-(4-methoxyphenyl)-1H-benzo[e][1,4]-diazepin-2(3H)-one
• 英文别名: (Z)-3-(3-Bromobenzyl)-1-(4-methoxybenzyl)-7-chloro-5-(4-methoxyphenyl)-1H-benzo[e][1,4]-diazepin-2(3H)-one；3-[(3-bromophenyl)methyl]-7-chloro-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-1,4-benzodiazepin-2-one
• CAS: 1059065-61-0
• 化学式: C₃₁H₂₆BrClN₂O₃
• 分子量: 589.916
• InChiKey: YYQDVQXICLWSMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-Chloro-1-(4-methoxybenzyl)-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione 在 四(三苯基膦)钯 potassium tert-butylate 、 sodium carbonate 、 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 水 、 甲苯 为溶剂， 反应 7.92h， 生成 3-(3-bromobenzyl)-1-(4-methoxybenzyl)-7-chloro-5-(4-methoxyphenyl)-1H-benzo[e][1,4]-diazepin-2(3H)-one
  参考文献：
  名称：

  WO2008/112553

  摘要：

  公开号：

文献信息

• BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS
  申请人：Glick Gary D.

  公开号：US20090118244A1

  公开（公告）日：2009-05-07

  The present invention provides a family of benzodiazepinone compounds and pharmaceutical compositions thereof. The present invention also provides methods of treating certain skin conditions, e.g., atopic dermatitis, rosacea, or psoriasis, by administering a benzodiazepinone and methods of reducing the proliferation of keratinocyte cells by exposing such cells to a benzodiazepinone.

  本发明提供了一类苯二氮卓酮化合物及其药物组合物。本发明还提供了治疗某些皮肤病症的方法，例如特应性皮炎、酒渣鼻或银屑病，通过给予苯二氮卓酮以及通过将角质细胞暴露于苯二氮卓酮来减少角质细胞增殖的方法。
• Compositions And Methods Relating To Novel Compounds And Targets Thereof
  申请人：Glick Gary D.

  公开号：US20080269194A1

  公开（公告）日：2008-10-30

  The present invention relates to novel chemical compounds, methods for their discovery, and their therapeutic use. In particular, the present invention provides benzodiazepine compounds, and structurally and functionally related compounds, and methods of using such compounds as therapeutic agents to treat a number of conditions associated with the faulty regulation of the processes of programmed cell death, autoimmunity, inflammation, hyperproliferation, vascular abnormalities, and the like.

  本发明涉及新型化合物、其发现方法及其治疗用途。具体而言，本发明提供苯二氮平类化合物，以及结构和功能相关的化合物，并使用这些化合物作为治疗剂来治疗与编程细胞死亡、自身免疫、炎症、过度增殖、血管异常等过程的错误调节相关的多种疾病。
• Compositions and methods relating to novel compounds and targets thereof
  申请人：The Regents of the University of Michigan

  公开号：US07851465B2

  公开（公告）日：2010-12-14

  The present invention relates to novel chemical compounds, methods for their discovery, and their therapeutic use. In particular, the present invention provides benzodiazepine compounds, and structurally and functionally related compounds, and methods of using such compounds as therapeutic agents to treat a number of conditions associated with the faulty regulation of the processes of programmed cell death, autoimmunity, inflammation, hyperproliferation, vascular abnormalities, and the like.

  本发明涉及新型化合物、其发现方法及其治疗用途。具体而言，本发明提供苯二氮平化合物和结构上和功能上相关的化合物，并提供使用这些化合物作为治疗剂治疗与程序性细胞死亡、自身免疫、炎症、过度增殖、血管异常等过程失调相关的多种疾病的方法。
• Benzodiazepinone compounds useful in the treatment of skin conditions
  申请人：The Regents of the University of Michigan

  公开号：US08188072B2

  公开（公告）日：2012-05-29

  The present invention provides a family of benzodiazepinone compounds and pharmaceutical compositions thereof. The present invention also provides methods of treating certain skin conditions, e.g., atopic dermatitis, rosacea, or psoriasis, by administering a benzodiazepinone and methods of reducing the proliferation of keratinocyte cells by exposing such cells to a benzodiazepinone.

  本发明提供了一系列苯二氮平酮化合物及其药物组成物。本发明还提供了通过给予苯二氮平酮来治疗某些皮肤病，例如特应性皮炎、酒渣鼻或银屑病的方法，以及通过将这些细胞暴露在苯二氮平酮下来减少角质细胞增殖的方法。
• COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF
  申请人：The Regents of the University of Michigan

  公开号：EP2139331A1

  公开（公告）日：2010-01-06