| 301849-55-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• CAS: 301849-55-8
• 化学式: C₄₉H₇₈O₁₀Si
• 分子量: 855.238
• InChiKey: ZLALIUMHLRHGAI-NZRBYCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.66
• 重原子数：
  60.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  111.14
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 0.75h， 以35%的产率得到25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-4''-deoxy-22,23-dihydro-avermectin A_1a monosaccharide
  参考文献：
  名称：

  Avermectins and flea control: structure–activity relationships and the selection of selamectin for development as an endectocide for companion animals

  摘要：

  Evaluation of a wide range of avermectin derivatives for flea activity in an in vitro feeding screen using the cat flea, Ctenocephalides felis, revealed a narrow structure-activity relationship (SAR) with activity surprisingly associated with monosaccharides and especially their C-5-oximes. We discovered commercially exploitable flea activity in a single compound, selamectin 33, which also possessed the necessary antiparasitic spectrum and margin of safety for development as a broad-spectrum companion animal endectocide. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00120-6
• 作为产物：
  描述：

  25-cyclohexyl-5-O-demethyl-5-O-[(1,1-dimethylethyl)dimethylsilyl]-25-de(1-methylpropyl)-22,23-dihydro-avermectin A1a monosaccharide 在 吡啶 、 偶氮二异丁腈 、 三正丁基氢锡 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Avermectins and flea control: structure–activity relationships and the selection of selamectin for development as an endectocide for companion animals

  摘要：

  Evaluation of a wide range of avermectin derivatives for flea activity in an in vitro feeding screen using the cat flea, Ctenocephalides felis, revealed a narrow structure-activity relationship (SAR) with activity surprisingly associated with monosaccharides and especially their C-5-oximes. We discovered commercially exploitable flea activity in a single compound, selamectin 33, which also possessed the necessary antiparasitic spectrum and margin of safety for development as a broad-spectrum companion animal endectocide. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00120-6