2-[6-(3-cyanophenyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide | 642049-62-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[6-(3-cyanophenyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide
• CAS: 642049-62-5
• 化学式: C₂₈H₂₆Cl₂N₄O
• 分子量: 505.447
• InChiKey: PFWFUDCVIXPZQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[6-(3-cyanophenyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide 、 羟乙醛 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 生成 2-[6-(3-cyanophenyl)-1'-(2-hydroxyethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide
  参考文献：
  名称：

  Tetrahydroisoquinolines as MCH-R1 antagonists

  摘要：

  A series of potent and selective inhibitors of h-MCH-R1 has been developed based on the piperidine glycineamide compounds I and II. These structurally more rigid tetrahydroisoquinolines (III and IV) showed better pharmacokinetics. The highly potent compounds 12d and 12g displayed excellent rat pk. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.055
• 作为产物：
  描述：

  Tert-butyl 6-(3-cyanophenyl)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-[6-(3-cyanophenyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide
  参考文献：
  名称：

  Tetrahydroisoquinolines as MCH-R1 antagonists

  摘要：

  A series of potent and selective inhibitors of h-MCH-R1 has been developed based on the piperidine glycineamide compounds I and II. These structurally more rigid tetrahydroisoquinolines (III and IV) showed better pharmacokinetics. The highly potent compounds 12d and 12g displayed excellent rat pk. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.055

文献信息

• Tetrahydroisoquinolines as MCH-R1 antagonists
  作者：T.K. Sasikumar、L. Qiang、W.-L. Wu、D.A. Burnett、W.J. Greenlee、K. O’Neill、B.E. Hawes、M. van Heek、M. Graziano

  DOI：10.1016/j.bmcl.2006.06.055

  日期：2006.9

  A series of potent and selective inhibitors of h-MCH-R1 has been developed based on the piperidine glycineamide compounds I and II. These structurally more rigid tetrahydroisoquinolines (III and IV) showed better pharmacokinetics. The highly potent compounds 12d and 12g displayed excellent rat pk. (c) 2006 Elsevier Ltd. All rights reserved.