(R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)pyridin-2-yl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)acetamide | 626218-26-6

• 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: (R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)pyridin-2-yl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)acetamide
• 英文别名: N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]pyridin-2-yl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
• CAS: 626218-26-6
• 化学式: C₃₀H₃₅Cl₂N₅O₃
• 分子量: 584.546
• InChiKey: RBPXZGGCEYINEX-HHHXNRCGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  86.8
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (R)-N-(3-(2,4-dichlorophenyl)-1-(4-(3-formylpyridin-2-yl)piperazin-1-yl)-1-oxopropan-2-yl)acetamide 、 2-甲氧基苯乙胺 在 三乙酰氧基硼氢化钠 作用下， 生成 (R)-N-(1-(4-(3-((2-methoxyphenethylamino)methyl)pyridin-2-yl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl)acetamide
  参考文献：
  名称：

  Design, synthesis, and SAR studies on a series of 2-pyridinylpiperazines as potent antagonists of the melanocortin-4 receptor

  摘要：

  A series of 2-pyridinylpiperazines derived from beta-Ala-(2,4-Cl)Phe dipeptide was synthesized for the study of their SARs and possible interactions with the MC4 receptor. Compounds such as 11k (K-i = 6.5 nM) possessed high potency. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.069

文献信息

• Design, synthesis, and SAR studies on a series of 2-pyridinylpiperazines as potent antagonists of the melanocortin-4 receptor
  作者：Joe A. Tran、Joseph Pontillo、Beth A. Fleck、Dragan Marinkovic、Melissa Arellano、Fabio C. Tucci、Marion Lanier、John Saunders、Wanlong Jiang、Caroline W. Chen、Alan C. Foster、Chen Chen

  DOI：10.1016/j.bmcl.2006.04.069

  日期：2006.7

  A series of 2-pyridinylpiperazines derived from beta-Ala-(2,4-Cl)Phe dipeptide was synthesized for the study of their SARs and possible interactions with the MC4 receptor. Compounds such as 11k (K-i = 6.5 nM) possessed high potency. (c) 2006 Elsevier Ltd. All rights reserved.