| 1253283-87-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1253283-87-2
• 化学式: C₄₅H₅₀O₁₄S
• 分子量: 846.95
• InChiKey: LWXIQSISWQUFRG-QWBHHVOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.47
• 重原子数：
  60.0
• 可旋转键数：
  17.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  152.74
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为产物：
  描述：

  (2S,3R,4S,5R)-2-(((2S,3R,4S,5S)-3-acetoxy-5-hydroxy-2-(p-tolylthio)tetrahydro-2H-pyran-4-yl)oxy)-4,5-bis((4-methoxybenzyl)oxy)tetrahydro-2H-pyran-3-yl 4-methoxybenzoate 、 乙酸酐 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 3.0h， 以55%的产率得到
  参考文献：
  名称：

  Synthesis of cholestane glycosides bearing OSW-1 disaccharide or its 1→4-linked analogue and their antitumor activities

  摘要：

  For further structure-activity relationship (SAR) research of OSW saponins, a cholestane glycoside, namely 3 beta, 16 beta, 26-trihydroxycholest-5-en-22-one 16-O-(2-O-4-methoxybenzoyl-beta-D-xylopyranosyl)-(1 -> 3)-2-O- acetyl-alpha-L-arabinopyranoside (1) together with two 1 -> 4-linked disaccharide analogues (2 and 3) were synthesized. Their cytotoxic activities were evaluated by the standard MTT assay. Compound 1 showed potent cytotoxicity against five types of human tumor cells, with IC50 ranging between 1.3 and 73 nM. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.085