4-(5,7,7,10,10-Pentamethyl-2-methylsulfanyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid | 951219-69-5

• 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-2-methylsulfanyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
• CAS: 951219-69-5
• 化学式: C₃₀H₃₂N₂O₂S
• 分子量: 484.662
• InChiKey: MTXQTFPRTGFPKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 4-(5,7,7,10,10-pentamethyl-2-(methylthio)-7,8,9,10-tetrahydro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoate 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-(5,7,7,10,10-Pentamethyl-2-methylsulfanyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
  参考文献：
  名称：

  Synthesis and structure–activity relationship of novel RXR antagonists: Orally active anti-diabetic and anti-obesity agents

  摘要：

  A series of diazepinylbenzoic acid derivatives were synthesized and tested in the inhibition assay of the transactivation of RXR. Oral treatment of cyano derivatives (16f) was found to show anti-diabetic and anti-obesity effects in KK-A(y) mice. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.080

文献信息

• Synthesis and structure–activity relationship of novel RXR antagonists: Orally active anti-diabetic and anti-obesity agents
  作者：Junichi Sakaki、Masashi Kishida、Kazuhide Konishi、Hiroki Gunji、Atsushi Toyao、Yuki Matsumoto、Takanori Kanazawa、Hidefumi Uchiyama、Hiroaki Fukaya、Hironobu Mitani、Yoshie Arai、Masaaki Kimura

  DOI：10.1016/j.bmcl.2007.06.080

  日期：2007.9

  A series of diazepinylbenzoic acid derivatives were synthesized and tested in the inhibition assay of the transactivation of RXR. Oral treatment of cyano derivatives (16f) was found to show anti-diabetic and anti-obesity effects in KK-A(y) mice. (c) 2007 Elsevier Ltd. All rights reserved.