S 31411 | 220932-71-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: S 31411
• 英文别名: (-)-S 32504；(4aS,10bS)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide
• CAS: 220932-71-8
• 化学式: C₁₆H₂₂N₂O₂
• 分子量: 274.363
• InChiKey: XKTRZPQOQOCNJU-GJZGRUSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 S 31411 在 N,N-二甲基甲酰胺二甲基缩醛 、 sodium methylate 作用下， 以 甲醇 、 四氢呋喃 为溶剂， 以65%的产率得到
  参考文献：
  名称：

  Modulations of the amide function of the preferential dopamine D3 agonist (R,R)-S32504: Improvements of affinity and selectivity for D3 versus D2 receptors

  摘要：

  Starting with the preferential dopamine (DA) D(3) agonist S32504, we prepared two series of derivatives of the general formula I-A and I-B, in an effort to improve both potency and selectivity. For the first set of derivatives, where the primary amide function of S32504 was replaced by either secondary and tertiary amide or ester, acid, nitrile and ketone, no improvement was obtained. Conversely, when the primary amide function was integrated in a lactam ring, an enhancement of affinity and selectivity was attained for the five-membered ring lactam but also for its five-membered ring lactone analogue. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.015
• 作为产物：
  描述：

  (4aS,10bS)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carbonitrile 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 以80%的产率得到S 31411
  参考文献：
  名称：

  Modulations of the amide function of the preferential dopamine D3 agonist (R,R)-S32504: Improvements of affinity and selectivity for D3 versus D2 receptors

  摘要：

  Starting with the preferential dopamine (DA) D(3) agonist S32504, we prepared two series of derivatives of the general formula I-A and I-B, in an effort to improve both potency and selectivity. For the first set of derivatives, where the primary amide function of S32504 was replaced by either secondary and tertiary amide or ester, acid, nitrile and ketone, no improvement was obtained. Conversely, when the primary amide function was integrated in a lactam ring, an enhancement of affinity and selectivity was attained for the five-membered ring lactam but also for its five-membered ring lactone analogue. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.015

文献信息

• [EN] SELECTIVE DOPAMIN D3 RECEPTOR AGONISTS FOR THE TREATMENT OF SEXUAL DYSFUNCTION<br/>[FR] AGONISTES SELECTIFS DU RECEPTEUR DE LA DOPAMINE D3 POUR TRAITER LES TROUBLES D'ORDRE SEXUEL
  申请人：PFIZER LTD

  公开号：WO2003051370A1

  公开（公告）日：2003-06-26

  The use of a composition comprising a selective dopamine D3 receptor agonist, wherein said dopamine D3 receptor agonist is at least about 15-times more functionally selective for a dopamine D3 receptor as compared with a dopamine D2 receptor when measured using the same functional assay, in the preparation of a medicament for the treatment and/or prevention of sexual dysfunction.

  使用一种包含选择性多巴胺D3受体激动剂的组合物，其中所述的多巴胺D3受体激动剂在使用相同的功能性测定时，与多巴胺D2受体相比至少具有15倍的功能选择性，用于制备治疗和/或预防性功能障碍的药物。
• Nouvelles trans-3,4,4a,5,6,10b-hexahydro-2H-napht(1,2-b)-1,4-oxazines disubstituées, leur procédé de préparation et les compositions pharmaceutiques qui les contiennent
  申请人：LES LABORATOIRES SERVIER

  公开号：EP0899267B1

  公开（公告）日：2002-12-11
• US6025356A
  申请人：——

  公开号：US6025356A

  公开（公告）日：2000-02-15