1-(butylcarbamoyl)cyclopentane-1-carboxylic acid | 946860-44-2

• 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-(butylcarbamoyl)cyclopentane-1-carboxylic acid
• CAS: 946860-44-2
• 化学式: C₁₁H₁₉NO₃
• 分子量: 213.277
• InChiKey: HJEFRLNHXJZDBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.55
• 重原子数：
  15.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  66.4
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(butylcarbamoyl)cyclopentane-1-carboxylic acid 、 (S)-3-amino-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-N-butyl-1-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]cyclopentane-1,1-dicarboxamide
  参考文献：
  名称：

  Design and synthesis of benzoazepinone-derived cyclic malonamides and aminoamides as potent γ-secretase inhibitors

  摘要：

  We report the synthesis of benzoazepine-derived cyclic malonamides (2) and aminoamides (3) as gamma-secretase inhibitors for the potential treatment of Alzheimer's disease. The in vitro structure-activity relationships of 2 and 3 along with dog pharmacokinetic results are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.102
• 作为产物：
  描述：

  1,1-环戊基二甲酸1-乙酯 在 lithium hydroxide 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(butylcarbamoyl)cyclopentane-1-carboxylic acid
  参考文献：
  名称：

  Design and synthesis of benzoazepinone-derived cyclic malonamides and aminoamides as potent γ-secretase inhibitors

  摘要：

  We report the synthesis of benzoazepine-derived cyclic malonamides (2) and aminoamides (3) as gamma-secretase inhibitors for the potential treatment of Alzheimer's disease. The in vitro structure-activity relationships of 2 and 3 along with dog pharmacokinetic results are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.102

文献信息

• Design and synthesis of benzoazepinone-derived cyclic malonamides and aminoamides as potent γ-secretase inhibitors
  作者：Michael G. Yang、Jian-Liang Shi、Dilip P. Modi、Jennifer Wells、Brian M. Cochran、Mark A. Wolf、Lorin A. Thompson、Mercy M. Ramanjulu、Arthur H. Roach、Robert Zaczek、David W. Robertson、Ruth R. Wexler、Richard E. Olson

  DOI：10.1016/j.bmcl.2007.04.102

  日期：2007.7

  We report the synthesis of benzoazepine-derived cyclic malonamides (2) and aminoamides (3) as gamma-secretase inhibitors for the potential treatment of Alzheimer's disease. The in vitro structure-activity relationships of 2 and 3 along with dog pharmacokinetic results are described. (C) 2007 Elsevier Ltd. All rights reserved.