(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-[[(8R,9S,13S,14S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide | 501083-26-7

• 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: (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-[[(8R,9S,13S,14S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
• CAS: 501083-26-7
• 化学式: C₅₅H₆₆Cl₂N₆O₉
• 分子量: 1026.07
• InChiKey: ANDPCMZQPVEJEW-OWJIDSFBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  72
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  227
• 氢给体数：
  7
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-[[(8R,9S,13S,14S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide 在 palladium on activated charcoal 甲酸 、 氢气 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 estrone-3-O-CH2CO-Tyr-Gly-Gly-Phe-Leu-NH2
  参考文献：
  名称：

  Studies on the Synthesis of Estrogen-GHRPS Linkers

  摘要：

  A series of linkers consisted of estrone, estradiol, and GHRPS (growth hormone releasing peptides) were prepared with carboxylmethyl or succinyl as the conjugated group. As a protective group in the side chain of Tyr, the Deb (2,6-dichlorobenzyl) in the intermediates which is unstable to HF can be removed in high yield in the presence of Pd/C (10%), H-2, and 4.4% formic acid in methanol.

  DOI：

  10.1081/scc-120018924
• 作为产物：
  描述：

  Boc-Tyr(2,6-Cl2Bzl)-Gly-Gly-Phe-OMe 在 N-甲基吗啉 、 盐酸 、 sodium hydroxide 、 sodium tetrahydroborate 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 3.0h， 生成 (2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[2-[[(8R,9S,13S,14S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
  参考文献：
  名称：

  Studies on the Synthesis of Estrogen-GHRPS Linkers

  摘要：

  A series of linkers consisted of estrone, estradiol, and GHRPS (growth hormone releasing peptides) were prepared with carboxylmethyl or succinyl as the conjugated group. As a protective group in the side chain of Tyr, the Deb (2,6-dichlorobenzyl) in the intermediates which is unstable to HF can be removed in high yield in the presence of Pd/C (10%), H-2, and 4.4% formic acid in methanol.

  DOI：

  10.1081/scc-120018924