(S)-2-Amino-N-[({[(S)-1-(carbamoylmethyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-carbamoyl)-methyl]-3-[4-(2,6-dichloro-benzyloxy)-phenyl]-propionamide | 501082-78-6

• 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: (S)-2-Amino-N-[({[(S)-1-(carbamoylmethyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-carbamoyl)-methyl]-3-[4-(2,6-dichloro-benzyloxy)-phenyl]-propionamide
• CAS: 501082-78-6
• 化学式: C₃₁H₃₄Cl₂N₆O₆
• 分子量: 657.554
• InChiKey: HDBMPVQYRQMBHE-UIOOFZCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.0
• 重原子数：
  45.0
• 可旋转键数：
  16.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  194.74
• 氢给体数：
  6.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (S)-2-Amino-N-[({[(S)-1-(carbamoylmethyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-carbamoyl)-methyl]-3-[4-(2,6-dichloro-benzyloxy)-phenyl]-propionamide 在 N-甲基吗啉 、 sodium tetrahydroborate 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 生成
  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 盐酸 、 sodium hydroxide 、 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 (S)-2-Amino-N-[({[(S)-1-(carbamoylmethyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-carbamoyl)-methyl]-3-[4-(2,6-dichloro-benzyloxy)-phenyl]-propionamide
  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