phenylmethyl [1R-methyl-2-oxo-2-[(3-phenylpropyl)amino]ethyl]carbamate | 99952-50-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: phenylmethyl [1R-methyl-2-oxo-2-[(3-phenylpropyl)amino]ethyl]carbamate
• 英文别名: benzyl N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate
• CAS: 99952-50-8
• 化学式: C₂₀H₂₄N₂O₃
• 分子量: 340.422
• InChiKey: FRVGFFKVDXBDHI-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  phenylmethyl [1R-methyl-2-oxo-2-[(3-phenylpropyl)amino]ethyl]carbamate 生成 2(R)-amino-N-(3-phenylpropyl)propanamide
  参考文献：
  名称：

  HANSEN, DONALD W.;MAZUR, ROBERT H.;PILIPAUSKAS, DANIEL R.

  摘要：

  DOI：
• 作为产物：
  描述：

  N-benzyloxycarbonyl-D-alanine 、 3-苯基-1-丙胺 生成 phenylmethyl [1R-methyl-2-oxo-2-[(3-phenylpropyl)amino]ethyl]carbamate
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Substituted tyrosyl alanine dipeptide amides
  申请人：G. D. Searle & Co.

  公开号：US04599325A1

  公开（公告）日：1986-07-08

  The invention relates to novel substituted tyrosyl alanine dipeptide amides of the formula: ##STR1## and the pharmaceutically acceptable acid addition salts thereof wherein R.sub.1 represents straight or branched lower alkyl having 1 to 4 carbons; R.sub.2 represents hydrogen, hydroxy, --OCO.sub.2 R.sub.1 substituent or lower alkyl having 1 to 4 carbons; R.sub.3 represents a hydrogen or lower alkyl having 1 to 6 carbons; R.sub.4 and R.sub.5 may be the same or different and represent hydrogen or lower alkyl having 1 to 6 carbons; n is 1 to 6; X represents a hydrogen, hydroxy or OCO.sub.2 R.sub.1 substituent; A represents a cyclohexyl, phenyl or phenyl substituted with one or more lower alkyls containing 1 to 6 carbons, one or more amino, hydroxy, halogen, nitro or lower alkoxy substituent having 1 to 6 carbons; V represents the asymmetric carbon that may be racemic or have the D or L configuration; W represents the asymmetric carbon when R.sub.4 and R.sub.5 are not the same that may optionally be racemic or have the D or L configuration. These compounds are useful as analgesic and/or antihypertensive agents.

  该发明涉及一种新颖的取代酪氨酸丙氨酸二肽酰胺，其化学式为：##STR1##及其药用可接受的酸盐，其中R.sub.1代表直链或支链低碳1到4的烷基；R.sub.2代表氢、羟基、--OCO.sub.2 R.sub.1取代基或1到4碳的低碳烷基；R.sub.3代表氢或1到6碳的低碳烷基；R.sub.4和R.sub.5可以相同也可以不同，代表氢或1到6碳的低碳烷基；n为1到6；X代表氢、羟基或OCO.sub.2 R.sub.1取代基；A代表环己基、苯基或苯基，其上有一个或多个含1到6碳的低碳烷基、一个或多个氨基、羟基、卤素、硝基或1到6碳的低碳烷氧基取代基；V代表可能是外消旋或具有D或L构型的不对称碳；W代表当R.sub.4和R.sub.5不相同时的不对称碳，可能是外消旋或具有D或L构型。这些化合物可用作镇痛和/或降压剂。
• ——
  作者：HANSEN D. W.、 MAZUR R. H.、 PILIPAUSKAS D. R.

  DOI：——

  日期：——
• HANSEN, DONALD W.;MAZUR, ROBERT H.;PILIPAUSKAS, DANIEL R.
  作者：HANSEN, DONALD W.、MAZUR, ROBERT H.、PILIPAUSKAS, DANIEL R.

  DOI：——

  日期：——
• [EN] PEPTIDE ANALOGUES<br/>[FR] ANALOGUES PEPTIDIQUES
  申请人：PFIZER LTD

  公开号：WO2011104649A1

  公开（公告）日：2011-09-01

  The present invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine, in particular as opioid agonists.