4-(5,7,7,10,10-Pentamethyl-13-oxo-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-12-yl)benzoic acid | 1261286-12-7

• 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: 4-(5,7,7,10,10-Pentamethyl-13-oxo-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-12-yl)benzoic acid
• CAS: 1261286-12-7
• 化学式: C₂₉H₃₀N₂O₃
• 分子量: 454.569
• InChiKey: YXGIVWXDOZYNPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-nitro-2-naphthylamine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 copper(l) iodide 、 氢气 、 sodium hydride 、 potassium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 钯 、 sodium t-butanolate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 4-(5,7,7,10,10-Pentamethyl-13-oxo-8,9-dihydronaphtho[2,3-b][1,4]benzodiazepin-12-yl)benzoic acid
  参考文献：
  名称：

  Design and Synthesis of Novel Retinoid Synergists Having a Dibenzodiazepine Skeleton

  摘要：

  Based on the structures of potent RXR agonists 2 and 3, novel dibenzodiazepine derivatives 4 - 6, containing two diphenylamine substructures, were designed as RXR modulator candidates and synthesized by utilizing Pd-catalyzed and Cu-promoted diphenylamine-generating reactions as key reactions. These compounds showed retinoid-synergistic activity, enhancing the HL-60 cell differentiation-inducing ability of the RAR agonist Am80.

  DOI：

  10.3987/com-10-12046

文献信息

• Design and Synthesis of Novel Retinoid Synergists Having a Dibenzodiazepine Skeleton
  作者：Hiroyuki Kagechika、Kiminori Ohta、Emiko Kawachi、Koichi Shudo

  DOI：10.3987/com-10-12046

  日期：——

  Based on the structures of potent RXR agonists 2 and 3, novel dibenzodiazepine derivatives 4 - 6, containing two diphenylamine substructures, were designed as RXR modulator candidates and synthesized by utilizing Pd-catalyzed and Cu-promoted diphenylamine-generating reactions as key reactions. These compounds showed retinoid-synergistic activity, enhancing the HL-60 cell differentiation-inducing ability of the RAR agonist Am80.