7-[3-(4-methyl-piperazin-1-yl)-propylamino]-5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid methylamide | 934464-01-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 7-[3-(4-methyl-piperazin-1-yl)-propylamino]-5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid methylamide
• CAS: 934464-01-4
• 化学式: C₁₉H₃₂N₄O₂S
• 分子量: 380.555
• InChiKey: XCHPSYDNINJLON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.68
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  64.68
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  7-[3-(4-methyl-piperazin-1-yl)-propylamino]-5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid methylamide 、 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7-{3-(3-chloro-4-fluoro-phenyl)-1-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid methylamide
  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：

  7-oxo-5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid methylamide 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 15.0h， 生成 7-[3-(4-methyl-piperazin-1-yl)-propylamino]-5,6,7,8-tetrahydro-naphthalene-2-sulfonic acid methylamide
  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