pyridin-4-ylmethyl 3-[(3S)-7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate

• 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: pyridin-4-ylmethyl 3-[(3S)-7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate
• 化学式: C₂₄H₁₉ClFN₃O₃
• 分子量: 451.885
• InChiKey: XIOSVAXZBUNJOE-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S)-4-Chlorocarbonyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-butyric acid methyl ester 在 双(二丁基氯基锡(四))氧化物 、 溶剂黄146 、 三乙胺 作用下， 以 二氯甲烷 、 氯仿 、 1,2-二氯乙烷 、 甲苯 为溶剂， 生成 pyridin-4-ylmethyl 3-[(3S)-7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate
  参考文献：
  名称：

  Identification and Structure–Activity Studies of Novel Ultrashort-Acting Benzodiazepine Receptor Agonists

  摘要：

  The synthesis and evaluation of novel ultrashort-acting benzodiazepine (USA BZD) agonists is described. A BZD scaffold was modified by incorporation of amino acids and derivatives. The propionate side chain of glutamic acid tethers an enzymatically labile functionality where the metabolite carboxylic acid displays markedly reduced BZD receptor affinity. The USA BZDs were characterized by full agonism profiles. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00512-7

文献信息

• Identification and Structure–Activity Studies of Novel Ultrashort-Acting Benzodiazepine Receptor Agonists
  作者：Jeffrey A. Stafford,、Gregory J. Pacofsky,、Richard F. Cox、Jill R. Cowan、George F. Dorsey、Stephen S. Gonzales、David K. Jung、George W. Koszalka、Maggie S. McIntyre、Jeffrey H. Tidwell、Robert P. Wiard、Paul L. Feldman

  DOI：10.1016/s0960-894x(02)00512-7

  日期：2002.11

  The synthesis and evaluation of novel ultrashort-acting benzodiazepine (USA BZD) agonists is described. A BZD scaffold was modified by incorporation of amino acids and derivatives. The propionate side chain of glutamic acid tethers an enzymatically labile functionality where the metabolite carboxylic acid displays markedly reduced BZD receptor affinity. The USA BZDs were characterized by full agonism profiles. (C) 2000 Elsevier Science Ltd. All rights reserved.