N-[3-(4-methylpiperazin-1-yl)propyl]-7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine | 934464-03-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-[3-(4-methylpiperazin-1-yl)propyl]-7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine
• CAS: 934464-03-6
• 化学式: C₁₈H₂₈N₄O₂
• 分子量: 332.446
• InChiKey: QDZXHQHVICLRFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  61.65
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-[3-(4-methylpiperazin-1-yl)propyl]-7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine 在 镍 盐酸 、 sodium nitrate 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 50.0 ℃ 、344.74 kPa 条件下， 反应 3.0h， 生成 3-(3-chloro-4-fluoro-phenyl)-1-(7-cyano-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：

  7-硝基-3,4-二氢-1H-2-萘酮 在 titanium(IV) isopropylate 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 15.0h， 生成 N-[3-(4-methylpiperazin-1-yl)propyl]-7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine
  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