tert-butyl (R)-3-acetamido-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate | 676607-29-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: tert-butyl (R)-3-acetamido-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
• CAS: 676607-29-7
• 化学式: C₂₀H₂₈N₂O₃
• 分子量: 344.454
• InChiKey: MCLFORHUOCJJHX-QGZVFWFLSA-N

物化性质

• 沸点：
  531.1±50.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.54
• 重原子数：
  25.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  58.64
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (R)-3-acetamido-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate 在 盐酸 、 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 N-[(1R)-1'-(9H-carbazol-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
  参考文献：
  名称：

  Discovery and characterization of a potent and selective antagonist of melanin-concentrating hormone receptor 2

  摘要：

  A series of spiropiperidine carbazoles were synthesized and evaluated as MCHR2 antagonists using a FLIPR assay. The pharmacokinetic properties of selected compounds have also been studied. This effort led to the discovery of potent and specific MCHR2 antagonists. Compound 38 demonstrated good pharmacokinetic properties across rat, beagle dog and rhesus monkey and had a favorable selectivity profile against a number of other receptors. These MCHR2 antagonists are considered appropriate tool compounds for study of the function of MCHR2 in vivo. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.125
• 作为产物：
  描述：

  tert-Butyl (S)-3-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate 在 叠氮磷酸二苯酯 、 水 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 tert-butyl (R)-3-acetamido-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate
  参考文献：
  名称：

  Discovery and characterization of a potent and selective antagonist of melanin-concentrating hormone receptor 2

  摘要：

  A series of spiropiperidine carbazoles were synthesized and evaluated as MCHR2 antagonists using a FLIPR assay. The pharmacokinetic properties of selected compounds have also been studied. This effort led to the discovery of potent and specific MCHR2 antagonists. Compound 38 demonstrated good pharmacokinetic properties across rat, beagle dog and rhesus monkey and had a favorable selectivity profile against a number of other receptors. These MCHR2 antagonists are considered appropriate tool compounds for study of the function of MCHR2 in vivo. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.125