N-[3-(4-Cyano-4-o-tolyl-piperidin-1-yl)-propyl]-2-hydroxy-2,2-di-p-tolyl-acetamide | 369640-48-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N-[3-(4-Cyano-4-o-tolyl-piperidin-1-yl)-propyl]-2-hydroxy-2,2-di-p-tolyl-acetamide
• 英文别名: N-[3-[4-cyano-4-(2-methylphenyl)piperidin-1-yl]propyl]-2-hydroxy-2,2-bis(4-methylphenyl)acetamide
• CAS: 369640-48-2
• 化学式: C₃₂H₃₇N₃O₂
• 分子量: 495.665
• InChiKey: FJFCVNFWRHPKPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  76.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  对硝基苯基氯甲酸酯 、 N-[3-(4-Cyano-4-o-tolyl-piperidin-1-yl)-propyl]-2-hydroxy-2,2-di-p-tolyl-acetamide 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以14%的产率得到1-[3-(2,4-Dioxo-5,5-di-p-tolyl-oxazolidin-3-yl)-propyl]-4-o-tolyl-piperidine-4-carbonitrile
  参考文献：
  名称：

  Cyclic imides as potent and selective α-1A adrenergic receptor antagonists

  摘要：

  We disclose a new compound class of potent and selective alpha -1A adrenergic receptor antagonists exemplified by the geminally, disubstituted cyclic imide 7. The optimization of lead compounds resulting in the cyclic imide motif is highlighted. The results of in vitro and in vivo studies of selected compounds are presented. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00320-1
• 作为产物：
  描述：

  邻甲基苯乙腈 在 盐酸 、 sodium hydride 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[3-(4-Cyano-4-o-tolyl-piperidin-1-yl)-propyl]-2-hydroxy-2,2-di-p-tolyl-acetamide
  参考文献：
  名称：

  Cyclic imides as potent and selective α-1A adrenergic receptor antagonists

  摘要：

  We disclose a new compound class of potent and selective alpha -1A adrenergic receptor antagonists exemplified by the geminally, disubstituted cyclic imide 7. The optimization of lead compounds resulting in the cyclic imide motif is highlighted. The results of in vitro and in vivo studies of selected compounds are presented. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00320-1

文献信息

• Cyclic imides as potent and selective α-1A adrenergic receptor antagonists
  作者：Robert M DiPardo、Michael A Patane、Randall C Newton、RoseAnn Price、Theodore P Broten、Raymond S.L Chang、Richard W Ransom、Jerry Di Salvo、Roger M Freidinger、Mark G Bock

  DOI：10.1016/s0960-894x(01)00320-1

  日期：2001.7

  We disclose a new compound class of potent and selective alpha -1A adrenergic receptor antagonists exemplified by the geminally, disubstituted cyclic imide 7. The optimization of lead compounds resulting in the cyclic imide motif is highlighted. The results of in vitro and in vivo studies of selected compounds are presented. (C) 2001 Elsevier Science Ltd. All rights reserved.