N-{2-[(S)-3-hydroxy-pyrrolidin-1-yl]-(S)-1-phenyl-ethyl}-N-methyl-2-(methyl-phenyl-amino)-acetamide

• 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: N-{2-[(S)-3-hydroxy-pyrrolidin-1-yl]-(S)-1-phenyl-ethyl}-N-methyl-2-(methyl-phenyl-amino)-acetamide
• 英文别名: N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N-methyl-2-(methyl(phenyl)amino)acetamide；N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(N-methylanilino)acetamide
• 化学式: C₂₂H₂₉N₃O₂
• 分子量: 367.491
• InChiKey: LCKIWMSXZXWUFF-LEWJYISDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  47
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(2-methylamino-(S)-2-phenyl-ethyl)-pyrrolidin-(S)-3-ol dihydrochloride 、 N-苯基-N-甲基甘氨酸 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 N-{2-[(S)-3-hydroxy-pyrrolidin-1-yl]-(S)-1-phenyl-ethyl}-N-methyl-2-(methyl-phenyl-amino)-acetamide
  参考文献：
  名称：

  Novel phenylamino acetamide derivatives as potent and selective κ opioid receptor agonists

  摘要：

  A novel series of phenylamino acetamide derivatives was synthesized. These amides were shown to be potent and selective kappa opioid receptor agonists. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.034

文献信息

• Amide derivatives and methods of their use
  申请人：Dolle E. Roland

  公开号：US20050107355A1

  公开（公告）日：2005-05-19

  Amide derivatives of the general formulae Ia and Ib: are disclosed. Pharmaceutical compositions containing these compounds, and methods for their use, inter alia, for treating and/or preventing gastrointestinal disorders, pain, and pruritus are also disclosed.

  一般式Ia和Ib的酰胺衍生物已被披露。还披露了含有这些化合物的药物组合物，以及用于治疗和/或预防胃肠道疾病、疼痛和瘙痒等的方法。
• US7160902B2
  申请人：——

  公开号：US7160902B2

  公开（公告）日：2007-01-09
• [EN] AMIDE DERIVATIVES AND METHODS OF THEIR USE<br/>[FR] DERIVES D'AMIDE ET LEURS PROCEDES D'UTILISATION
  申请人：ADOLOR CORP

  公开号：WO2005049564A1

  公开（公告）日：2005-06-02

  Amide derivatives of the general formulae Ia and Ib are disclosed. Pharmaceutical compositions containing these compounds, and methods for their use, inter alia, for treating and/or preventing gastrointestinal disorders, pain, and pruritus are also disclosed.
• Novel phenylamino acetamide derivatives as potent and selective κ opioid receptor agonists
  作者：Guo-Hua Chu、Minghua Gu、Joel A. Cassel、Serge Belanger、Gabriel. J. Stabley、Robert N. DeHaven、Nathalie Conway-James、Mike Koblish、Patrick J. Little、Diane L. DeHaven-Hudkins、Roland E. Dolle

  DOI：10.1016/j.bmcl.2005.10.034

  日期：2006.2

  A novel series of phenylamino acetamide derivatives was synthesized. These amides were shown to be potent and selective kappa opioid receptor agonists. (c) 2005 Elsevier Ltd. All rights reserved.