| 1239920-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1239920-21-8
• 化学式: C₃₄H₄₁N₃O₅S
• 分子量: 603.783
• InChiKey: HEKKOQQHWSYCGQ-HTCNLVAFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.98
• 重原子数：
  43.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  120.61
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  、 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以66%的产率得到(2Z,4E)-ethyl 5-(2-((S)-2-(4-(benzyloxy)phenyl)-1-((3S,4R)-3-((S)-1-((S)-2-((S)-1-((R)-2-(tert-butoxycarbonylamino)-3-methoxypropanoyl)pyrrolidine-2-carboxamido)-3-hydroxypropanoyl)pyrrolidine-2-carboxamido)-4-methyl-2-oxohexanamido)ethyl)thiazol-4-yl)-2,4-dimethylpenta-2,4-dienoate
  参考文献：
  名称：

  Preparation and biological evaluation of key fragments and open analogs of scleritodermin A

  摘要：

  The synthesis of key fragments of scleritodermin A. their assembly, and their biological evaluation as cytotoxic and anthelmintic were performed. Highlights of the synthetic route include formation of the alpha-ketoamide linkage and use of stereocontrolled reactions. Open analogs of this natural product were obtained using a convergent strategy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.040
• 作为产物：
  描述：

  (2Z,4E)-ethyl 5-(2-((S)-2-(4-(benzyloxy)phenyl)-1-((3S,4R)-3-(tert-butoxycarbonylamino)-4-methyl-2-oxohexanamido)ethyl)thiazol-4-yl)-2,4-dimethylpenta-2,4-dienoate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Preparation and biological evaluation of key fragments and open analogs of scleritodermin A

  摘要：

  The synthesis of key fragments of scleritodermin A. their assembly, and their biological evaluation as cytotoxic and anthelmintic were performed. Highlights of the synthetic route include formation of the alpha-ketoamide linkage and use of stereocontrolled reactions. Open analogs of this natural product were obtained using a convergent strategy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.040