1,3,10-trimethoxy-5-(3,7,11-trimethyldodecyl)-11H-benzo[b][1,4]benzodiazepin-6-one | 1217265-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1,3,10-trimethoxy-5-(3,7,11-trimethyldodecyl)-11H-benzo[b][1,4]benzodiazepin-6-one
• CAS: 1217265-18-3
• 化学式: C₃₁H₄₆N₂O₄
• 分子量: 510.717
• InChiKey: ZLGWCDQKDXFMPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  37
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  60
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  10-farnesyl-4,6,8-trimethoxy-5,10-dihydrodibenzo[b,e][1,4]diazepin-11-one 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以55%的产率得到1,3,10-trimethoxy-5-(3,7,11-trimethyldodecyl)-11H-benzo[b][1,4]benzodiazepin-6-one
  参考文献：
  名称：

  Anti-invasive and anti-angiogenic activities of naturally occurring dibenzodiazepine BU-4664L and its derivatives

  摘要：

  In the screening for antitumor leads from microbial secondary metabolites, BU-4664L (1), a naturally occurring dibenzodiazepine, was found to inhibit tumor invasion and angiogenesis in vitro. Compound 1 inhibited the gelatinase activities of MMP-2 and MMP-9 and the cellular motility. Four derivatives (2-5) were synthesized from 1 and their antitumor activities were evaluated. Compounds 3 and 4 exhibited potent anti-angiogenic effects on HUVEC, together with remarkable inhibition of cell migration at nanomolar concentrations, and showed much lower cytotoxicity. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.055