(S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-N-((S)-1-(cyclopropylmethyl)pyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide | 852329-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: (S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-N-((S)-1-(cyclopropylmethyl)pyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide
• 英文别名: (3S)-3-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide
• CAS: 852329-55-6
• 化学式: C₂₆H₃₀ClN₅O₂S
• 分子量: 512.076
• InChiKey: RFBOPCUCOYYXLV-SFTDATJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  87.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-5-(4-氯苯基)噻吩-2-羧酸甲酯 在 TEA 、 三乙酰氧基硼氢化钠 、 三氟乙酸 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 反应 55.0h， 生成 (S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl)-N-((S)-1-(cyclopropylmethyl)pyrrolidin-3-yl)-N-methylpyrrolidine-1-carboxamide
  参考文献：
  名称：

  Thienopyrimidinone bis-aminopyrrolidine ureas as potent melanin-concentrating hormone receptor-1 (MCH-R1) antagonists

  摘要：

  A series of thienopyrimidinone bis-aminopyrrolidine ureas were designed, synthesized, and evaluated for their ability to bind melanin-concentrating hormone receptor-1. These compounds exhibit potent binding affinity (K-i = 3 nM) and good in vitro metabolic stability. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.012

文献信息

• Thienopyrimidinone bis-aminopyrrolidine ureas as potent melanin-concentrating hormone receptor-1 (MCH-R1) antagonists
  作者：Mingzhu Zhang、Junko Tamiya、Linh Nguyen、Martin W. Rowbottom、Brian Dyck、Troy D. Vickers、Jonathan Grey、David A. Schwarz、Christopher E. Heise、Jason Haelewyn、Monica S. Mistry、Val S. Goodfellow

  DOI：10.1016/j.bmcl.2007.02.012

  日期：2007.5

  A series of thienopyrimidinone bis-aminopyrrolidine ureas were designed, synthesized, and evaluated for their ability to bind melanin-concentrating hormone receptor-1. These compounds exhibit potent binding affinity (K-i = 3 nM) and good in vitro metabolic stability. (c) 2007 Elsevier Ltd. All rights reserved.