4-(dimethylcarbamoyl)-3-methylbutanoic acid | 896088-47-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-(dimethylcarbamoyl)-3-methylbutanoic acid
• 英文别名: 5-(Dimethylamino)-3-methyl-5-oxopentanoic acid
• CAS: 896088-47-4
• 化学式: C₈H₁₅NO₃
• 分子量: 173.212
• InChiKey: VICPYJHQZBYFHO-UHFFFAOYSA-N

物化性质

• 熔点：
  116-117 °C(Solv: ethyl acetate (141-78-6); methanol (67-56-1))
• 沸点：
  325.9±25.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(dimethylcarbamoyl)-3-methylbutanoic acid 、 1-(4-氯二苯甲基)哌嗪 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以8%的产率得到5-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)-N,N,3-trimethyl-5-oxopentanamide
  参考文献：
  名称：

  Synthesis and bradykinin inhibitory activity of novel non-peptide compounds, and evaluation of in vivo analgesic activity

  摘要：

  A series of novel non-peptide diamide compounds was synthesized and evaluated as antibradykinin agents by utilizing guinea-pig ileum smooth muscle. Among the final compounds, (Z)-4-(4-(bis(4-fluorophenyl) methyl)piperazin-1-yl)-4-oxo-N-(4-phenylbutan-2-yl)but-2-enamide showed most favorable bradykinin inhibitory activity and demonstrated analgesic efficacies in the rat models of inflammatory and neuropathic pain. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2010.01.050
• 作为产物：
  描述：

  3-甲基戊二酸酐 、 二甲胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以2%的产率得到4-(dimethylcarbamoyl)-3-methylbutanoic acid
  参考文献：
  名称：

  Synthesis and bradykinin inhibitory activity of novel non-peptide compounds, and evaluation of in vivo analgesic activity

  摘要：

  A series of novel non-peptide diamide compounds was synthesized and evaluated as antibradykinin agents by utilizing guinea-pig ileum smooth muscle. Among the final compounds, (Z)-4-(4-(bis(4-fluorophenyl) methyl)piperazin-1-yl)-4-oxo-N-(4-phenylbutan-2-yl)but-2-enamide showed most favorable bradykinin inhibitory activity and demonstrated analgesic efficacies in the rat models of inflammatory and neuropathic pain. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2010.01.050

文献信息

• [EN] NEW NON-PEPTIDE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME<br/>[FR] NOUVEAUX COMPOSÉS NON-PEPTIDIQUES, LEUR PROCÉDÉ DE PRÉPARATION ET COMPOSITION PHARMACEUTIQUE LES CONTENANT
  申请人：PARK CHOO HEA-YOUNG

  公开号：WO2007142431A1

  公开（公告）日：2007-12-13

  [EN] The present invention relates to a novel non-peptide compound, a method for preparing the same, and a pharmaceutical composition comprising the same. The non-peptide compound of the present invention has excellent inhibitory effect on bradykinin activity, and on chronic neuropathic pain and inflammatory pain, thereby being used for preventing or treating a disease caused by bradykinin, in particular, pain.
  [FR] La présente invention concerne un nouveau composé non-peptidique, un procédé de préparation de celui-ci et une composition pharmaceutique le contenant. Le composé non-peptidique proposé par la présente invention présente un excellent effet inhibiteur sur l'activité bradykinine et sur la douleur neuropathique chronique et inflammatoire, étant ainsi utilisé pour la prévention ou le traitement d'une maladie ou une condition causée par la bradykinine, en particulier, la douleur.
• Synthesis and bradykinin inhibitory activity of novel non-peptide compounds, and evaluation of in vivo analgesic activity
  作者：Yoo Lim Kam、Hee-Kyung Rhee、Hwa-Jung Kim、Seung Keun Back、Heung Sik Na、Hea-Young Park Choo

  DOI：10.1016/j.bmc.2010.01.050

  日期：2010.3

  A series of novel non-peptide diamide compounds was synthesized and evaluated as antibradykinin agents by utilizing guinea-pig ileum smooth muscle. Among the final compounds, (Z)-4-(4-(bis(4-fluorophenyl) methyl)piperazin-1-yl)-4-oxo-N-(4-phenylbutan-2-yl)but-2-enamide showed most favorable bradykinin inhibitory activity and demonstrated analgesic efficacies in the rat models of inflammatory and neuropathic pain. (C) 2010 Published by Elsevier Ltd.