| 1258327-35-3

• 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
• CAS: 1258327-35-3
• 化学式: C₉₄H₁₄₆N₁₂O₁₇S
• 分子量: 1748.33
• InChiKey: VKQFXQJNAWPNDH-UBTSJRCMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.38
• 重原子数：
  124.0
• 可旋转键数：
  47.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  349.5
• 氢给体数：
  5.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.5h， 生成
  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
• 作为产物：
  描述：

  N-alpha-芴甲氧羰基-N-epsilon-叔丁氧羰基-D-赖氨酸 、 [(E,2S,3R,4R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-benzylsulfanyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-1-oxobutan-2-yl]amino]-4-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-[methyl-[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]pentanoyl]amino]butanoyl]amino]-1-oxooct-6-en-3-yl] acetate 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成
  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