1,1-Bis(4-methylphenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)urea | 1170297-72-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1-Bis(4-methylphenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)urea
• CAS: 1170297-72-9
• 化学式: C₃₁H₃₇N₃O
• 分子量: 467.654
• InChiKey: KWMMLXRVWDEIDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  、 N-(3-aminopropyl)-4-(dihydroindenyl)piperidine 在 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 1,1-Bis(4-methylphenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)urea
  参考文献：
  名称：

  Discovery of novel spiro-piperidine derivatives as highly potent and selective melanin-concentrating hormone 1 receptor antagonists

  摘要：

  Optimization of high-throughput screening hit 1a led to the identification of a novel spiro-piperidine class of melanin-concentrating hormone 1 receptor (MCH-1R) antagonists. Compound 3c was identified as a highly potent and selective MCH-1R antagonist, which has an IC50 value of 0.09 nM at hMCH-1R. The synthesis and structure-activity relationships of the novel spiro-piperidine MCH-1R antagonists are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.016

文献信息

• Discovery of novel spiro-piperidine derivatives as highly potent and selective melanin-concentrating hormone 1 receptor antagonists
  作者：Takao Suzuki、Minoru Moriya、Toshihiro Sakamoto、Takuya Suga、Hiroyuki Kishino、Hidekazu Takahashi、Makoto Ishikawa、Keita Nagai、Yumiko Imai、Etsuko Sekino、Masahiko Ito、Hisashi Iwaasa、Akane Ishihara、Shigeru Tokita、Akio Kanatani、Nagaaki Sato、Takehiro Fukami

  DOI：10.1016/j.bmcl.2009.04.016

  日期：2009.6

  Optimization of high-throughput screening hit 1a led to the identification of a novel spiro-piperidine class of melanin-concentrating hormone 1 receptor (MCH-1R) antagonists. Compound 3c was identified as a highly potent and selective MCH-1R antagonist, which has an IC50 value of 0.09 nM at hMCH-1R. The synthesis and structure-activity relationships of the novel spiro-piperidine MCH-1R antagonists are described. (C) 2009 Elsevier Ltd. All rights reserved.