(S)-2-tert-Butoxycarbonylamino-4-{4-[(S)-2-tert-butoxycarbonylamino-2-(2-methoxycarbonyl-ethylcarbamoyl)-ethyl]-5-hydroxy-pyridin-3-yl}-butyric acid tert-butyl ester | 200405-43-2

• 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-tert-Butoxycarbonylamino-4-{4-[(S)-2-tert-butoxycarbonylamino-2-(2-methoxycarbonyl-ethylcarbamoyl)-ethyl]-5-hydroxy-pyridin-3-yl}-butyric acid tert-butyl ester
• CAS: 200405-43-2
• 化学式: C₃₀H₄₈N₄O₁₀
• 分子量: 624.732
• InChiKey: SARHMGBFIKSADG-SFTDATJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  44.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  191.48
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  (S)-2-tert-Butoxycarbonylamino-4-{4-[(S)-2-tert-butoxycarbonylamino-2-(2-methoxycarbonyl-ethylcarbamoyl)-ethyl]-5-hydroxy-pyridin-3-yl}-butyric acid tert-butyl ester 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 4-[(S)-2-tert-Butoxycarbonylamino-2-(2-carboxy-ethylcarbamoyl)-ethyl]-1-((S)-5-tert-butoxycarbonyl-5-tert-butoxycarbonylamino-pentyl)-3-((S)-3-tert-butoxycarbonyl-3-tert-butoxycarbonylamino-propyl)-5-hydroxy-pyridinium; chloride
  参考文献：
  名称：

  First total synthesis of the bone resorption markers deoxypyridinoline and hydroxypyridinoline

  摘要：

  The first total synthesis of the collagen crosslinks deoxypyridinoline 1 and hydroxypyridinoline 2 was achieved. The key intermediate, pyridine 3 served as starting material for the preparation of compounds 1 and 2 and derivatives of 1. These compounds create optimal tools to establish a diagnostic kit for bone resorption. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10084-1
• 作为产物：
  描述：

  (6S,16S)-(-)-di(tert-butyl) 11-(tert-butoxycarbonyl)-2,2,20,20-tetramethyl-4,9,13,18-tetraoxo-3,19-dioxa-5,11,17-triazahenicosane-6,16-dicarboxylate 在 sodium hydroxide 、 1-羟基苯并三唑 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N'-二环己基碳二亚胺 作用下， 以 水 为溶剂， 反应 24.0h， 生成 (S)-2-tert-Butoxycarbonylamino-4-{4-[(S)-2-tert-butoxycarbonylamino-2-(2-methoxycarbonyl-ethylcarbamoyl)-ethyl]-5-hydroxy-pyridin-3-yl}-butyric acid tert-butyl ester
  参考文献：
  名称：

  First total synthesis of the bone resorption markers deoxypyridinoline and hydroxypyridinoline

  摘要：

  The first total synthesis of the collagen crosslinks deoxypyridinoline 1 and hydroxypyridinoline 2 was achieved. The key intermediate, pyridine 3 served as starting material for the preparation of compounds 1 and 2 and derivatives of 1. These compounds create optimal tools to establish a diagnostic kit for bone resorption. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10084-1