SSR 241586 | 1239279-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: SSR 241586
• 英文别名: A5ZU7Gbj9Y；1-[2-[(2R)-4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-N,N-dimethyl-4-piperidin-1-ylpiperidine-4-carboxamide
• CAS: 1239279-30-1
• 化学式: C₃₂H₄₂Cl₂N₄O₃
• 分子量: 601.616
• InChiKey: RVQZVVJLIUXDPN-YTTGMZPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (R)-2-(2-(3,4-dichlorophenyl)morpholin-2-yl)ethanol 在 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.25h， 生成 SSR 241586
  参考文献：
  名称：

  Asymmetric Synthesis of an Antagonist of Neurokinin Receptors: SSR 241586

  摘要：

  SSR 241586 is a 2,2-disubstituted morpholine, developed by Sanofi-Aventis, which is active in the treatment of schizophrenia and irritable bowel syndrome (IBS). Different strategies have been studied to synthesize this molecule and among the strategies an organo-catalyzed Henry reaction, applied to an a.-keto ester, has produced SSR 241586 in excellent enantiomeric excess.

  DOI：

  10.1021/jo102471r

文献信息

• PROPHYLACTIC OR THERAPEUTIC AGENT AND MEDICINAL COMPOSITION FOR IL-31-MEDIATED DISEASE
  申请人：Kyushu University, National University Corporation

  公开号：EP3881843A1

  公开（公告）日：2021-09-22

  A prophylactic or therapeutic agent for an IL-31 mediated disease, said agent comprising a neurokinin B signal blocker.

  一种 IL-31 介导疾病的预防或治疗药物，所述药物包括神经激肽 B 信号阻断剂。
• Enantioselective Synthesis of SSR 241586 by Using an Organo-Catalyzed Henry Reaction
  作者：Anne Cochi、Thomas-Xavier Métro、Domingo Gomez Pardo、Janine Cossy

  DOI：10.1021/ol101555g

  日期：2010.8.20

  An organo-catalyzed Henry reaction, applied to an alpha-keto ester, has allowed the enantioselective synthesis of SSR 241586, a 2,2-disubstituted morpholine active in the treatment of schizophrenia and irritable bowel syndrome (IBS).
• UTILISATION D'UN COMPOSE ANTAGONISTE DES RECEPTEURS NK-2 DE LA NEUROKININE A POUR LA PREPARATION DE MEDICAMENTS UTILES POUR LA PREVENTION ET LE TRAITEMENT DES DYSFONCTIONS SEXUELLES
  申请人：Sanofi-Aventis

  公开号：EP2131842A2

  公开（公告）日：2009-12-16
• [EN] USE OF A COMPOUND ANTAGONIST TO THE NK2 RECEPTORS OF A NEUROKININE FOR THE PREPARATION OF DRUGS USEFUL FOR PREVENTING AND TREATING SEXUAL DYSFUNCTION<br/>[FR] UTILISATION D'UN COMPOSE ANTAGONISTE DES RECEPTEURS NK2 DE LA NEUROKININE A POUR LA PREPARATION DE MEDICAMENTS UTILES POUR LA PREVENTION ET LE TRAITEMENT DES DYSFONCTIONS SEXUELLES
  申请人：SANOFI AVENTIS

  公开号：WO2008110697A2

  公开（公告）日：2008-09-18

  [EN] The invention relates to the use of a compound antagonist to the NK₂ receptors of A neurokinine for the preparation of drugs useful for preventing and treating sexual dysfunction.
  [FR] La présente invention a pour objet l'utilisation d'un composé antagoniste des récepteurs NK₂ de la neuroquimine A pour la préparation de médicaments utiles pour la prévention et le traitement des dysfonctions sexuelles.
• Asymmetric Synthesis of an Antagonist of Neurokinin Receptors: SSR 241586
  作者：Thomas-Xavier Métro、Anne Cochi、Domingo Gomez Pardo、Janine Cossy

  DOI：10.1021/jo102471r

  日期：2011.4.15

  SSR 241586 is a 2,2-disubstituted morpholine, developed by Sanofi-Aventis, which is active in the treatment of schizophrenia and irritable bowel syndrome (IBS). Different strategies have been studied to synthesize this molecule and among the strategies an organo-catalyzed Henry reaction, applied to an a.-keto ester, has produced SSR 241586 in excellent enantiomeric excess.