| 1178556-28-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1178556-28-9
• 化学式: C₂₅H₃₂O₇S
• 分子量: 476.591
• InChiKey: LYECGVSIKRQUIY-ZLNRFVROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  33.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  99.13
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以148.8 mg的产率得到(3R,4S,5R)-3-(benzoyloxy)-4-(propoxy)-5,6-epoxyhex-1-ene
  参考文献：
  名称：

  Synthesis of 2α-propoxy-1α,25-dihydroxyvitamin D3 and comparison of its metabolism by human CYP24A1 and rat CYP24A1

  摘要：

  A new vitamin D-3 analogue, 2 alpha-propoxy-1 alpha, 25-dihydroxyvitamin D-3 (C3O1), was synthesized starting from D-glucose as a chiral template of the A-ring with a CD-ring bromoolefin unit using the Trost coupling method. We studied the metabolism of the new analogue by human CYP24A1 and rat CYP24A1 to learn of species-based differences and found that the former has multiple metabolic pathways, but the latter has only a single pathway. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.05.032
• 作为产物：
  描述：

  2,4,6-三甲基苯磺酰氯 、 (2R,3S,4R)-4-(benzoyloxy)-3-(propoxy)hex-5-en-1,2-diol 在 吡啶 作用下， 生成
  参考文献：
  名称：

  Synthesis of 2α-propoxy-1α,25-dihydroxyvitamin D3 and comparison of its metabolism by human CYP24A1 and rat CYP24A1

  摘要：

  A new vitamin D-3 analogue, 2 alpha-propoxy-1 alpha, 25-dihydroxyvitamin D-3 (C3O1), was synthesized starting from D-glucose as a chiral template of the A-ring with a CD-ring bromoolefin unit using the Trost coupling method. We studied the metabolism of the new analogue by human CYP24A1 and rat CYP24A1 to learn of species-based differences and found that the former has multiple metabolic pathways, but the latter has only a single pathway. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.05.032