4'-fluoro-biphenyl-4-carboxylic acid (6-dimethylaminomethyl-1,2,3,4-tetrahydro-naphthalen-(2S)-yl)-methyl-amide | 849420-87-7

• 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: 4'-fluoro-biphenyl-4-carboxylic acid (6-dimethylaminomethyl-1,2,3,4-tetrahydro-naphthalen-(2S)-yl)-methyl-amide
• 英文别名: N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)-N-methylbenzamide
• CAS: 849420-87-7
• 化学式: C₂₇H₂₉FN₂O
• 分子量: 416.538
• InChiKey: YPJHELJTCJBMJE-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4'-fluoro-biphenyl-4-carboxylic acid (6-dimethylaminomethyl-1,2,3,4-tetrahydro-naphthalen-(2S)-yl)-methyl-amide 在 氯甲酸乙酯 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 4'-fluoro-biphenyl-4-carboxylic acid (6-chloromethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-methyl-amide
  参考文献：
  名称：

  Aminomethyl tetrahydronaphthalene biphenyl carboxamide MCH-R1 antagonists—Increasing selectivity over hERG

  摘要：

  Aminomethyl tetrahydronaphthalene biphenyl carboxamide MCH-R1 antagonists with greater selectivity over hERG were identified. SAR studies addressing two distinct alternatives for structural modifications leading to improve hERG selectivity are described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.053
• 作为产物：
  描述：

  在 N-甲基吗啉 、 lithium aluminium tetrahydride 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 4'-fluoro-biphenyl-4-carboxylic acid (6-dimethylaminomethyl-1,2,3,4-tetrahydro-naphthalen-(2S)-yl)-methyl-amide
  参考文献：
  名称：

  Aminomethyl tetrahydronaphthalene biphenyl carboxamide MCH-R1 antagonists—Increasing selectivity over hERG

  摘要：

  Aminomethyl tetrahydronaphthalene biphenyl carboxamide MCH-R1 antagonists with greater selectivity over hERG were identified. SAR studies addressing two distinct alternatives for structural modifications leading to improve hERG selectivity are described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.053

文献信息

• Aminomethyl tetrahydronaphthalene biphenyl carboxamide MCH-R1 antagonists—Increasing selectivity over hERG
  作者：Kenneth M. Meyers、Nicholas Kim、José L. Méndez-Andino、X. Eric Hu、Rashid N. Mumin、Sean R. Klopfenstein、John A. Wos、Maria C. Mitchell、Jennifer L. Paris、David C. Ackley、Jerry K. Holbert、Scott W. Mittelstadt、Ofer Reizes

  DOI：10.1016/j.bmcl.2006.10.053

  日期：2007.2

  Aminomethyl tetrahydronaphthalene biphenyl carboxamide MCH-R1 antagonists with greater selectivity over hERG were identified. SAR studies addressing two distinct alternatives for structural modifications leading to improve hERG selectivity are described. (c) 2006 Elsevier Ltd. All rights reserved.