methyl N-(N-(((2R,3R)-2-((R)-4-azido-2-((S)-2-((tert-butoxycarbonyl)(methyl)amino)-N-methylpropanamido)butanamido)-3-hydroxy-4-methylpentanoyl)-D-alloisoleucyl)-N-methyl-L-alanyl)-N-methyl-L-leucyl-L-leucinate | 1620659-30-4

• 英文名称: methyl N-(N-(((2R,3R)-2-((R)-4-azido-2-((S)-2-((tert-butoxycarbonyl)(methyl)amino)-N-methylpropanamido)butanamido)-3-hydroxy-4-methylpentanoyl)-D-alloisoleucyl)-N-methyl-L-alanyl)-N-methyl-L-leucyl-L-leucinate
• CAS: 1620659-30-4
• 化学式: C₄₄H₈₀N₁₀O₁₁
• 分子量: 925.18
• InChiKey: HDDVVMDOAPDPDC-ZBADXXHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.23
• 重原子数：
  65.0
• 可旋转键数：
  25.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  273.06
• 氢给体数：
  4.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  methyl N-(N-(((2R,3R)-2-((R)-4-azido-2-((S)-2-((tert-butoxycarbonyl)(methyl)amino)-N-methylpropanamido)butanamido)-3-hydroxy-4-methylpentanoyl)-D-alloisoleucyl)-N-methyl-L-alanyl)-N-methyl-L-leucyl-L-leucinate 在 lithium hydroxide monohydrate 、 水 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 叔丁醇 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis, and evaluation, derivatives of the fat-accumulation inhibitor ternatin: toward ternatin molecular probes

  摘要：

  Ternatin, a cyclic heptapeptide derived from mushroom, strongly inhibits fat accumulation in 3T3-L1 adipocytes. However, its mechanism of action remains unclear. In this Letter, we designed, synthesized, and evaluated its derivatives for use as molecular probes to isolate its target protein. Finally, we successfully established a pair of ternatin molecular probes. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.06.036
• 作为产物：
  描述：

  N-methyl leucyl leucine methyl ester 在 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V) 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 methyl N-(N-(((2R,3R)-2-((R)-4-azido-2-((S)-2-((tert-butoxycarbonyl)(methyl)amino)-N-methylpropanamido)butanamido)-3-hydroxy-4-methylpentanoyl)-D-alloisoleucyl)-N-methyl-L-alanyl)-N-methyl-L-leucyl-L-leucinate
  参考文献：
  名称：

  Design, synthesis, and evaluation, derivatives of the fat-accumulation inhibitor ternatin: toward ternatin molecular probes

  摘要：

  Ternatin, a cyclic heptapeptide derived from mushroom, strongly inhibits fat accumulation in 3T3-L1 adipocytes. However, its mechanism of action remains unclear. In this Letter, we designed, synthesized, and evaluated its derivatives for use as molecular probes to isolate its target protein. Finally, we successfully established a pair of ternatin molecular probes. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.06.036