(R)-2-[(2R,3S,5R,6S)-3-Benzyloxycarbonylmethoxy-6-(tert-butoxycarbonylamino-methyl)-5-isobutoxy-tetrahydro-pyran-2-yl]-propionic acid tert-butyl ester | 259726-51-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (R)-2-[(2R,3S,5R,6S)-3-Benzyloxycarbonylmethoxy-6-(tert-butoxycarbonylamino-methyl)-5-isobutoxy-tetrahydro-pyran-2-yl]-propionic acid tert-butyl ester
• 英文别名: tert-butyl (2R)-2-[(2R,3S,5R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-(2-methylpropoxy)-3-(2-oxo-2-phenylmethoxyethoxy)oxan-2-yl]propanoate
• CAS: 259726-51-7
• 化学式: C₃₁H₄₉NO₉
• 分子量: 579.731
• InChiKey: PUUNRUIWXMACJP-WHEQMZTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.82
• 重原子数：
  41.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  118.62
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (R)-2-[(2R,3S,5R,6S)-3-Benzyloxycarbonylmethoxy-6-(tert-butoxycarbonylamino-methyl)-5-isobutoxy-tetrahydro-pyran-2-yl]-propionic acid tert-butyl ester 在 TEA 、 苯甲醚 、 焦碳酸二乙酯 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of a tetrahydropyran-based inhibitor of mammalian ribonucleotide reductase

  摘要：

  A tetrahydropyran-based inhibitor (2) of mammalian ribonucleotide reductase (mRR) has been designed and synthesized based on the heptapeptide, N-AcFTLDADF (1), corresponding to the C-terminus of the R2 subunit of mRR. Inhibition studies revealed that 2 is indeed a competent inhibitor, albeit less potent than 1. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00575-7
• 作为产物：
  描述：

  溴甲苯 、 (R)-2-[(2R,3S,5R,6S)-6-(tert-Butoxycarbonylamino-methyl)-3-carboxymethoxy-5-isobutoxy-tetrahydro-pyran-2-yl]-propionic acid tert-butyl ester 在 potassium carbonate 作用下， 生成 (R)-2-[(2R,3S,5R,6S)-3-Benzyloxycarbonylmethoxy-6-(tert-butoxycarbonylamino-methyl)-5-isobutoxy-tetrahydro-pyran-2-yl]-propionic acid tert-butyl ester
  参考文献：
  名称：

  Design and synthesis of a tetrahydropyran-based inhibitor of mammalian ribonucleotide reductase

  摘要：

  A tetrahydropyran-based inhibitor (2) of mammalian ribonucleotide reductase (mRR) has been designed and synthesized based on the heptapeptide, N-AcFTLDADF (1), corresponding to the C-terminus of the R2 subunit of mRR. Inhibition studies revealed that 2 is indeed a competent inhibitor, albeit less potent than 1. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00575-7