methyl (R)-3-(4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)-3-((3-methylureido)methyl)piperazin-1-yl)-1-naphthoate | 1127890-47-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl (R)-3-(4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)-3-((3-methylureido)methyl)piperazin-1-yl)-1-naphthoate
• CAS: 1127890-47-4
• 化学式: C₃₈H₃₉FN₆O₅
• 分子量: 678.763
• InChiKey: HCGRUXLAPQMCEZ-MUUNZHRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  methyl (R)-3-(4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)-3-((3-methylureido)methyl)piperazin-1-yl)-1-naphthoate 在 甲醇 、 lithium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 生成 3-((R)-4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)-3-((3-methylureido)methyl)piperazin-1-yl)-1-naphthoic acid
  参考文献：
  名称：

  2-Substituted piperazine-derived imidazole carboxamides as potent and selective CCK1R agonists for the treatment of obesity

  摘要：

  The discovery and structure-activity relationship of 1,2-diarylimidazole piperazine carboxamides bearing polar side chains as potent and selective cholecystokinin 1 receptor (CCK1R) agonists are described. Optimization of this series resulted in the discovery of isopropyl carboxamide 40, a CCK1R agonist with sub-nanomolar functional and binding activity as well as excellent potency in a mouse overnight food intake reduction assay. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.083
• 作为产物：
  描述：

  methyl 3-((3R)-3-(aminomethyl)-4-{[1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazol-4-yl]carbonyl}piperazin-1-yl)-1-naphthoate 、 三光气 、 甲胺 以 二氯甲烷 为溶剂， 以80%的产率得到methyl (R)-3-(4-(1-(3-ethoxyphenyl)-2-(2-fluoro-4-methylphenyl)-1H-imidazole-4-carbonyl)-3-((3-methylureido)methyl)piperazin-1-yl)-1-naphthoate
  参考文献：
  名称：

  2-Substituted piperazine-derived imidazole carboxamides as potent and selective CCK1R agonists for the treatment of obesity

  摘要：

  The discovery and structure-activity relationship of 1,2-diarylimidazole piperazine carboxamides bearing polar side chains as potent and selective cholecystokinin 1 receptor (CCK1R) agonists are described. Optimization of this series resulted in the discovery of isopropyl carboxamide 40, a CCK1R agonist with sub-nanomolar functional and binding activity as well as excellent potency in a mouse overnight food intake reduction assay. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.083

文献信息

• β-Peptides with improved affinity for hDM2 and hDMX
  作者：Elizabeth A. Harker、Douglas S. Daniels、Danielle A. Guarracino、Alanna Schepartz

  DOI：10.1016/j.bmc.2009.01.039

  日期：2009.3

  We previously described a series of 3(14)-helical beta-peptides that bind the hDM2 protein and inhibit its interaction with a p53-derived peptide in vitro. Here we present a detailed characterization of the interaction of these peptides with hDM2 and report two new beta-peptides in which non-natural side chains have been substituted into the hDM2-recognition epitope. These peptides feature both improved affinity and inhibitory potency in fluorescence polarization and ELISA assays. Additionally, one of the new beta-peptides also binds the hDM2- related protein, hDMX, which has been identified as another key therapeutic target for activation of the p53 pathway in tumors. (C) 2009 Elsevier Ltd. All rights reserved.