| 934463-99-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• CAS: 934463-99-7
• 化学式: C₁₉H₃₁N₃O
• 分子量: 317.475
• InChiKey: UXXNEAKNNKLTOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  27.74
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 异氰酸- 3-氯-4-氟苯酯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以48%的产率得到3-(3-chloro-4-fluoro-phenyl)-1-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-1-[3-(4-methyl-piperazin-1-yl)-propyl]-urea
  参考文献：
  名称：

  Discovery of tetralin ureas as potent melanin concentrating hormone 1 receptor antagonists

  摘要：

  Melanin concentrating hormone (MCH) plays an important role in the regulation of food intake and energy balance in mammals. MCH-1 receptor (MCH1R) deficient mice are lean and resistant to diet-induced obesity. As such, MCH1R antagonists are believed to have potential as possible treatments for obesity. The discovery of a novel class of tetralin ureas as potent MCH1R antagonists is described herein. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.080
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Discovery of tetralin ureas as potent melanin concentrating hormone 1 receptor antagonists

  摘要：

  Melanin concentrating hormone (MCH) plays an important role in the regulation of food intake and energy balance in mammals. MCH-1 receptor (MCH1R) deficient mice are lean and resistant to diet-induced obesity. As such, MCH1R antagonists are believed to have potential as possible treatments for obesity. The discovery of a novel class of tetralin ureas as potent MCH1R antagonists is described herein. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.080