{3-[{3-[[5-((S)-2-tert-Butoxycarbonylamino-3-carbamoyl-propionylamino)-pentyl]-(2-nitro-benzenesulfonyl)-amino]-propyl}-(2-nitro-benzenesulfonyl)-amino]-propyl}-carbamic acid allyl ester | 1026386-49-1

• 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: {3-[{3-[[5-((S)-2-tert-Butoxycarbonylamino-3-carbamoyl-propionylamino)-pentyl]-(2-nitro-benzenesulfonyl)-amino]-propyl}-(2-nitro-benzenesulfonyl)-amino]-propyl}-carbamic acid allyl ester
• 英文别名: prop-2-enyl N-[3-[3-[5-[[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]amino]pentyl-(2-nitrophenyl)sulfonylamino]propyl-(2-nitrophenyl)sulfonylamino]propyl]carbamate
• CAS: 1026386-49-1
• 化学式: C₃₆H₅₂N₈O₁₄S₂
• 分子量: 884.986
• InChiKey: UYBKIWIFZRBJSG-MHZLTWQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  60
• 可旋转键数：
  27
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  332
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  {3-[{3-[[5-((S)-2-tert-Butoxycarbonylamino-3-carbamoyl-propionylamino)-pentyl]-(2-nitro-benzenesulfonyl)-amino]-propyl}-(2-nitro-benzenesulfonyl)-amino]-propyl}-carbamic acid allyl ester 在 四氢吡咯 、 四(三苯基膦)钯 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 ((S)-1-{5-[{3-[(3-Amino-propyl)-(2-nitro-benzenesulfonyl)-amino]-propyl}-(2-nitro-benzenesulfonyl)-amino]-pentylcarbamoyl}-2-carbamoyl-ethyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  An efficient and versatile synthesis of all structural types of acylpolyamine spider toxins

  摘要：

  An efficient and versatile synthesis of acylpolyamine spider toxins of all structural types classified by extensive MS analysis has been achieved. By using 2-nitrobenzenesulfonamide as an effective activating and/or protecting group (the Nosyl strategy), the naturally occurring toxins 1-8 corresponding to Types A-F were concisely synthesized in high overall yield. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.06.051
• 作为产物：
  描述：

  丁氧羰基-L-天冬酰胺对硝苯基酯 在 四丁基碘化铵 、 caesium carbonate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 {3-[{3-[[5-((S)-2-tert-Butoxycarbonylamino-3-carbamoyl-propionylamino)-pentyl]-(2-nitro-benzenesulfonyl)-amino]-propyl}-(2-nitro-benzenesulfonyl)-amino]-propyl}-carbamic acid allyl ester
  参考文献：
  名称：

  An efficient and versatile synthesis of all structural types of acylpolyamine spider toxins

  摘要：

  An efficient and versatile synthesis of acylpolyamine spider toxins of all structural types classified by extensive MS analysis has been achieved. By using 2-nitrobenzenesulfonamide as an effective activating and/or protecting group (the Nosyl strategy), the naturally occurring toxins 1-8 corresponding to Types A-F were concisely synthesized in high overall yield. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.06.051

文献信息

• An efficient and versatile synthesis of all structural types of acylpolyamine spider toxins
  作者：Ken-ichi Nihei、Massuo J. Kato、Tetsuo Yamane、Katsuhiro Konno

  DOI：10.1016/j.tet.2006.06.051

  日期：2006.8

  An efficient and versatile synthesis of acylpolyamine spider toxins of all structural types classified by extensive MS analysis has been achieved. By using 2-nitrobenzenesulfonamide as an effective activating and/or protecting group (the Nosyl strategy), the naturally occurring toxins 1-8 corresponding to Types A-F were concisely synthesized in high overall yield. (c) 2006 Elsevier Ltd. All rights reserved.