1D-3-chloro-1,2:5,6-di-O-isopropylidene-4-O-methyl-chiro-inositol | 1158813-36-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1D-3-chloro-1,2:5,6-di-O-isopropylidene-4-O-methyl-chiro-inositol
• 英文别名: (1R,2S,6S,7S,8R,9S)-7-chloro-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecane
• CAS: 1158813-36-5
• 化学式: C₁₃H₂₁ClO₅
• 分子量: 292.76
• InChiKey: NDMLPFGISIJEOY-HGQQYVGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,2:5,6-双-O-(1-甲基亚乙基)-3-甲基-1D-手性肌醇 在 吡啶 、 氯化亚砜 作用下， 以45%的产率得到1D-3-chloro-1,2:5,6-di-O-isopropylidene-4-O-methyl-chiro-inositol
  参考文献：
  名称：

  Semi-synthetic analogs of pinitol as potential inhibitors of TNF-α cytokine expression in human neutrophils

  摘要：

  Semi-synthetic analogs of pinitol were subjected to screening by determining TNF-alpha expression in human neutrophils using flowcytometry. Among the tested compounds, three derivatives displayed more than 50% inhibition of TNF-alpha cytokine secretion in LPS induced stimulated neutrophils and can be considered as potent anti-inflammatory moieties. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.050

文献信息

• Semi-synthetic analogs of pinitol as potential inhibitors of TNF-α cytokine expression in human neutrophils
  作者：Khurshid A. Bhat、Bhahwal A. Shah、Kuldeep K. Gupta、Anjali Pandey、Sarang Bani、Subhash C. Taneja

  DOI：10.1016/j.bmcl.2009.02.050

  日期：2009.4

  Semi-synthetic analogs of pinitol were subjected to screening by determining TNF-alpha expression in human neutrophils using flowcytometry. Among the tested compounds, three derivatives displayed more than 50% inhibition of TNF-alpha cytokine secretion in LPS induced stimulated neutrophils and can be considered as potent anti-inflammatory moieties. (C) 2009 Elsevier Ltd. All rights reserved.