(S)-3-[3-Amino-4-(3-tert-butoxycarbonylamino-propoxy)-phenyl]-2-(2,2,2-trifluoro-acetylamino)-propionic acid tert-butyl ester | 216502-93-1

• 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: (S)-3-[3-Amino-4-(3-tert-butoxycarbonylamino-propoxy)-phenyl]-2-(2,2,2-trifluoro-acetylamino)-propionic acid tert-butyl ester
• CAS: 216502-93-1
• 化学式: C₂₃H₃₄F₃N₃O₆
• 分子量: 505.535
• InChiKey: KWJJVXXCSVOYLG-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  35.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  128.98
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (S)-3-[3-Amino-4-(3-tert-butoxycarbonylamino-propoxy)-phenyl]-2-(2,2,2-trifluoro-acetylamino)-propionic acid tert-butyl ester 在 吡啶 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 生成
  参考文献：
  名称：

  Synthesis and evaluation of RGD peptidomimetics aimed at surface bioderivatization of polymer substrates

  摘要：

  Several RGD peptidomimetics have been prepared, in a convergent way, from the common ortho-amino-tyrosine template (O-substituted with an anchorage-arm or a methyl group, and alpha N-substituted with a fluorine tag for XPS analysis), and various omega-aminoacid derivatives. The most flexible compounds have shown a biological activity similar to that of the peptide reference (RGDS) in the platelet aggregation test. The compound 16a could be fitted (by modelisation) with DMP 728 and c(RGDfV), two cyclic peptides that are good ligands of integrins. The compound 16b has been covalently fixed on the surface of a poly(ethylene terephthalate) membrane used as support for mammalian cell cultivation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00083-2
• 作为产物：
  描述：

  N-Boc-3-氨基丙基溴 在 platinum(IV) oxide 18-冠醚-6 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 20.0 ℃ 、344.73 kPa 条件下， 反应 27.0h， 生成 (S)-3-[3-Amino-4-(3-tert-butoxycarbonylamino-propoxy)-phenyl]-2-(2,2,2-trifluoro-acetylamino)-propionic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis and evaluation of RGD peptidomimetics aimed at surface bioderivatization of polymer substrates

  摘要：

  Several RGD peptidomimetics have been prepared, in a convergent way, from the common ortho-amino-tyrosine template (O-substituted with an anchorage-arm or a methyl group, and alpha N-substituted with a fluorine tag for XPS analysis), and various omega-aminoacid derivatives. The most flexible compounds have shown a biological activity similar to that of the peptide reference (RGDS) in the platelet aggregation test. The compound 16a could be fitted (by modelisation) with DMP 728 and c(RGDfV), two cyclic peptides that are good ligands of integrins. The compound 16b has been covalently fixed on the surface of a poly(ethylene terephthalate) membrane used as support for mammalian cell cultivation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00083-2