cyclo[Abu-Sar-N(Me)Leu-Val-N(Me)Leu-Ala-D-Dab(Me2)-N(Me)Leu-N(Me)Leu-N(Me)Val-N(Me)Bmt(E)] | 1258327-49-9

• 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: cyclo[Abu-Sar-N(Me)Leu-Val-N(Me)Leu-Ala-D-Dab(Me2)-N(Me)Leu-N(Me)Leu-N(Me)Val-N(Me)Bmt(E)]
• 英文别名: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-[2-(dimethylamino)ethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,15,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• CAS: 1258327-49-9
• 化学式: C₆₅H₁₁₈N₁₂O₁₂
• 分子量: 1259.73
• InChiKey: HFDMYHJKNGVKIE-LBPKNPAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  89
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  282
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 cyclo[Abu-Sar-N(Me)Leu-Val-N(Me)Leu-Ala-D-Dab-N(Me)Leu-N(Me)Leu-N(Me)Val-N(Me)Bmt(E)] 在 三乙酰氧基硼氢化钠 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 cyclo[Abu-Sar-N(Me)Leu-Val-N(Me)Leu-Ala-D-Dab(Me2)-N(Me)Leu-N(Me)Leu-N(Me)Val-N(Me)Bmt(E)]
  参考文献：
  名称：

  Synthesis and biological evaluation of [d-lysine]8cyclosporin A analogs as potential anti-HCV agents

  摘要：

  An efficient synthesis of [D-lysine](8)cyclosporin A has been developed. Several analogs of [ D- lysine] 8cyclosporin A have been synthesized and show promising anti-HCV activity, particularly compounds 39 and 43, which each exhibit an anti-HCV EC50 < 200 nM, and are each >= 50-fold less immunosuppressive than cyclosporin A. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.036

文献信息

• Synthesis and biological evaluation of [d-lysine]8cyclosporin A analogs as potential anti-HCV agents
  作者：Andrew Scribner、David Houck、Zhuhui Huang、Sarah Mosier、Michael Peel、Bernard Scorneaux

  DOI：10.1016/j.bmcl.2010.09.036

  日期：2010.11

  An efficient synthesis of [D-lysine](8)cyclosporin A has been developed. Several analogs of [ D- lysine] 8cyclosporin A have been synthesized and show promising anti-HCV activity, particularly compounds 39 and 43, which each exhibit an anti-HCV EC50 < 200 nM, and are each >= 50-fold less immunosuppressive than cyclosporin A. (C) 2010 Elsevier Ltd. All rights reserved.