[1-(1-cyclopentylpiperidin-4-yl)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-6-yl] trifluoromethanesulfonate | 753028-95-4

• 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: [1-(1-cyclopentylpiperidin-4-yl)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-6-yl] trifluoromethanesulfonate
• CAS: 753028-95-4
• 化学式: C₂₈H₃₂Cl₂F₃N₃O₄S
• 分子量: 634.547
• InChiKey: RFVFWKVZRBFQSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  87.3
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [1-(1-cyclopentylpiperidin-4-yl)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-6-yl] trifluoromethanesulfonate 、 2,5-二氯苯硼酸 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 2-(1-(1-cyclopentylpiperidin-4-yl)-6-(2,5-dichlorophenyl)-3,4-dihydroisoquinolin-2(1H)-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：

  N-苯基双(三氟甲烷磺酰)亚胺 、 2-[1-(1-cyclopentylpiperidin-4-yl)-6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3,5-dichlorophenyl)acetamide 以 二氯甲烷 为溶剂， 生成 [1-(1-cyclopentylpiperidin-4-yl)-2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-6-yl] trifluoromethanesulfonate
  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

• US7498441B2
  申请人：——

  公开号：US7498441B2

  公开（公告）日：2009-03-03
• 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.