(S)-4-Methyl-2-[(R)-4-methyl-2-(3-methylamino-propionyloxy)-pentanoylamino]-pentanoic acid (S)-1-[((S)-1-carboxy-2-phenyl-ethyl)-methyl-carbamoyl]-3-methyl-butyl ester | 223270-89-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (S)-4-Methyl-2-[(R)-4-methyl-2-(3-methylamino-propionyloxy)-pentanoylamino]-pentanoic acid (S)-1-[((S)-1-carboxy-2-phenyl-ethyl)-methyl-carbamoyl]-3-methyl-butyl ester
• CAS: 223270-89-1
• 化学式: C₃₂H₅₁N₃O₈
• 分子量: 605.772
• InChiKey: MWOBLAHGZWBRPL-NFGXINMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  43.0
• 可旋转键数：
  19.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  151.34
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  (S)-4-Methyl-2-[(R)-4-methyl-2-(3-methylamino-propionyloxy)-pentanoylamino]-pentanoic acid (S)-1-[((S)-1-carboxy-2-phenyl-ethyl)-methyl-carbamoyl]-3-methyl-butyl ester 在 4-二甲氨基吡啶 、 二苯基磷酸 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 cyclo[Leu-OLeu-N(Me)Phe-N(Me)bAla-D-OLeu]
  参考文献：
  名称：

  Synthesis and evaluation of backbone/amide-modified analogs of leualacin

  摘要：

  Leualacin (1), a cyclic depsi-pentapeptide, and its backbone/amide-modified analogs 2-4 were synthesized. Amide analogue 3 exhibited stronger vasodilatory effects. It also strongly inhibited collagen- and arachidonic acid (AA)induced platelet aggregations with IC(50)s of 0.6 mu M and 2.0 mu M, respectively (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00038-4
• 作为产物：
  描述：

  H-L-Leu-O-L-Leu-N(Me)-L-Phe phenylmethyl ester 在 palladium on activated charcoal 氢气 、 双(2-氧代-3-恶唑烷基)次磷酰氯 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 生成 (S)-4-Methyl-2-[(R)-4-methyl-2-(3-methylamino-propionyloxy)-pentanoylamino]-pentanoic acid (S)-1-[((S)-1-carboxy-2-phenyl-ethyl)-methyl-carbamoyl]-3-methyl-butyl ester
  参考文献：
  名称：

  Synthesis and evaluation of backbone/amide-modified analogs of leualacin

  摘要：

  Leualacin (1), a cyclic depsi-pentapeptide, and its backbone/amide-modified analogs 2-4 were synthesized. Amide analogue 3 exhibited stronger vasodilatory effects. It also strongly inhibited collagen- and arachidonic acid (AA)induced platelet aggregations with IC(50)s of 0.6 mu M and 2.0 mu M, respectively (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00038-4