[1-((R)-1-{1-[(R)-1-(4-Methoxy-phenyl)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1H-imidazol-4-ylcarbamoyl}-4-phenyl-butylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester | 811795-90-1

• 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-((R)-1-{1-[(R)-1-(4-Methoxy-phenyl)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1H-imidazol-4-ylcarbamoyl}-4-phenyl-butylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester
• CAS: 811795-90-1
• 化学式: C₃₇H₅₀N₆O₆
• 分子量: 674.841
• InChiKey: CMXAMJQSGZGIEA-DBLACVQGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  49.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  143.89
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  [1-((R)-1-{1-[(R)-1-(4-Methoxy-phenyl)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1H-imidazol-4-ylcarbamoyl}-4-phenyl-butylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester 在 盐酸 作用下， 生成 LY 444711
  参考文献：
  名称：

  Synthesis and biological evaluation of an orally active ghrelin agonist that stimulates food consumption and adiposity in rats

  摘要：

  2-(2-Amino-2-methyl-propionylamino)-5-phenyl-pentanoic acid {1-[1-(4-methoxy-phenyl)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyll-lH-imidazol-4-yl}-amide (LY444711, 6) is an orally active ghrelin agonist that binds with high affinity to and is a potent activator of the growth hormone secretagogue receptor la (GHS-R1a) receptor. In rat models of feeding behavior and pharmacology, 6 creates a positive energy balance and induces adiposity by stimulating food consumption and sparing fat utilization. As an orally active ghrelin agonist, 6 represents a new pharmacological tool to investigate the orexigenic role of ghrelin in regulating energy homeostasis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.027
• 作为产物：
  描述：

  对甲氧基苯乙酸乙酯 在 palladium on activated charcoal lithium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 草酰氯 、 偶氮二异丁腈 、 氢气 、 sodium hexamethyldisilazane 、 potassium carbonate 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 生成 [1-((R)-1-{1-[(R)-1-(4-Methoxy-phenyl)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]-1H-imidazol-4-ylcarbamoyl}-4-phenyl-butylcarbamoyl)-1-methyl-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of an orally active ghrelin agonist that stimulates food consumption and adiposity in rats

  摘要：

  2-(2-Amino-2-methyl-propionylamino)-5-phenyl-pentanoic acid {1-[1-(4-methoxy-phenyl)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyll-lH-imidazol-4-yl}-amide (LY444711, 6) is an orally active ghrelin agonist that binds with high affinity to and is a potent activator of the growth hormone secretagogue receptor la (GHS-R1a) receptor. In rat models of feeding behavior and pharmacology, 6 creates a positive energy balance and induces adiposity by stimulating food consumption and sparing fat utilization. As an orally active ghrelin agonist, 6 represents a new pharmacological tool to investigate the orexigenic role of ghrelin in regulating energy homeostasis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.027