N-<(SR,SR)-2,4-dibenzyl-4-carboxybutyryl>-3-aminopropanenitril | 105129-19-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: N-<(SR,SR)-2,4-dibenzyl-4-carboxybutyryl>-3-aminopropanenitril
• 英文别名: N-[(SR,SR)-2,4-dibenzyl-4-carboxybutyryl]-3-aminopropanenitril；(2R,4R)-2,4-dibenzyl-5-(2-cyanoethylamino)-5-oxopentanoic acid
• CAS: 105129-19-9
• 化学式: C₂₂H₂₄N₂O₃
• 分子量: 364.444
• InChiKey: RRCCFRQCCJOFPS-PMACEKPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  90.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  cis-2,4-dibenzylglutaric anhydride 在 吡啶 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 16.25h， 生成 N-<(SR,SR)-2,4-dibenzyl-4-carboxybutyryl>-3-aminopropanenitril
  参考文献：
  名称：

  Enkephalinase inhibitors. 1. 2,4-Dibenzylglutaric acid derivatives

  摘要：

  The synthesis of two new series of dicarboxylic acid dipeptides and two sulfhydryl-containing inhibitors are described. The in vitro enkephalinase inhibition data and some in vivo analgesic data are presented for these compounds. For the dibenzylglutaric acid series structure-activity relationships and in vivo analgesic activity are discussed. The reverse amides, i.e., 4-amino-2,4-dibenzylbutyric acid derivatives, are also discussed. Two sulfhydryl-containing inhibitors showed good in vivo potency in the mouse jump-latency hot-plate test after peripheral administration at moderate low doses.

  DOI：

  10.1021/jm00132a005

文献信息

• KSANDER, GARY M.;DIEFENBACHER, CLIVE G.;YUAN, ANDREW M.;CLARK, F.;SAKANE,+, J. MED. CHEM., 32,(1989) N2, C. 2519-2526
  作者：KSANDER, GARY M.、DIEFENBACHER, CLIVE G.、YUAN, ANDREW M.、CLARK, F.、SAKANE,+

  DOI：——

  日期：——
• US4939261A
  申请人：——

  公开号：US4939261A

  公开（公告）日：1990-07-03
• Enkephalinase inhibitors. 1. 2,4-Dibenzylglutaric acid derivatives
  作者：Gary M. Ksander、Clive G. Diefenbacher、Andrew M. Yuan、F. Clark、Yumi Sakane、R. D. Ghai

  DOI：10.1021/jm00132a005

  日期：1989.12

  The synthesis of two new series of dicarboxylic acid dipeptides and two sulfhydryl-containing inhibitors are described. The in vitro enkephalinase inhibition data and some in vivo analgesic data are presented for these compounds. For the dibenzylglutaric acid series structure-activity relationships and in vivo analgesic activity are discussed. The reverse amides, i.e., 4-amino-2,4-dibenzylbutyric acid derivatives, are also discussed. Two sulfhydryl-containing inhibitors showed good in vivo potency in the mouse jump-latency hot-plate test after peripheral administration at moderate low doses.