3,6-anhydro-1,2-dideoxy-1-(4,5-diethyl-1H-1,2,3-triazol-1-yl)-4,5-O-isopropylidene-7-O-trityl-D-allo-heptitol | 937251-06-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 3,6-anhydro-1,2-dideoxy-1-(4,5-diethyl-1H-1,2,3-triazol-1-yl)-4,5-O-isopropylidene-7-O-trityl-D-allo-heptitol
• CAS: 937251-06-4
• 化学式: C₃₅H₄₁N₃O₄
• 分子量: 567.728
• InChiKey: BMVPTMYCEGPRBV-ISSPZXTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.09
• 重原子数：
  42.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  67.63
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3,6-anhydro-1,2-dideoxy-1-(4,5-diethyl-1H-1,2,3-triazol-1-yl)-4,5-O-isopropylidene-7-O-trityl-D-allo-heptitol 在 三氟乙酸 作用下， 以 水 为溶剂， 以15%的产率得到(2S,3R,4S,5R)-2-[2-(4,5-diethyltriazol-1-yl)ethyl]-5-(hydroxymethyl)oxolane-3,4-diol
  参考文献：
  名称：

  1,2,3-Triazolylalkylribitol derivatives as nucleoside hydrolase inhibitors

  摘要：

  A range of novel 1,2,3-triazolylalkyiribitol derivatives were synthesized and evaluated as nucleoside hydrolase inhibitors. The most active compound (11a) has low micromolar potency and is structurally diverse from previously reported nucleoside hydrolase inhibitors, which, along with the simplicity of the chemistry involved in its synthesis, makes it a good lead for the further development of novel nucleoside hydrolase inhibitors. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.017
• 作为产物：
  描述：

  3,6-anhydro-2-deoxy-4,5-O-isopropylidene-1-O-(methylsulfonyl)-7-O-trityl-D-allo-heptitol 在 sodium azide 、 copper(l) chloride 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 59.0h， 生成 3,6-anhydro-1,2-dideoxy-1-(4,5-diethyl-1H-1,2,3-triazol-1-yl)-4,5-O-isopropylidene-7-O-trityl-D-allo-heptitol
  参考文献：
  名称：

  1,2,3-Triazolylalkylribitol derivatives as nucleoside hydrolase inhibitors

  摘要：

  A range of novel 1,2,3-triazolylalkyiribitol derivatives were synthesized and evaluated as nucleoside hydrolase inhibitors. The most active compound (11a) has low micromolar potency and is structurally diverse from previously reported nucleoside hydrolase inhibitors, which, along with the simplicity of the chemistry involved in its synthesis, makes it a good lead for the further development of novel nucleoside hydrolase inhibitors. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.017