cholest-5-en-3β-yl 6-mercaptohexyl ether | 73960-67-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: cholest-5-en-3β-yl 6-mercaptohexyl ether
• 英文别名: 6-(5-cholesten-3β-yloxy)-1-thiohexane；6-(5-Cholesten-3beta-yloxy)-hexane-1-thiol；6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]hexane-1-thiol
• CAS: 73960-67-5
• 化学式: C₃₃H₅₈OS
• 分子量: 502.889
• InChiKey: FDQHCQDVKUEBPY-IJXDZZBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  10.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cholest-5-en-3β-yl 6-mercaptohexyl ether 在 sodium methylate 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 苯 为溶剂， 反应 2.75h， 生成 cholest-5-en-3β-yl 6-<(p-carboxybenzyl)thio>hexyl ether succinimido ester
  参考文献：
  名称：

  Functional cholesteryl binding agents: synthesis, characterization, and evaluation of antibody binding to modified phospholipid vesicles

  摘要：

  A series of functionalized cholesteryl derivatives were synthesized. The various lipophilic protein modification agents were analyzed for their protein binding ability. The binding of human IgG, labeled with 125I, to modified phospholipid vesicles was ascertained. Two agents performed well. These were cholest-5-en-3 beta-yl 5-carboxypentyl ether succinimido ester and cholest-5-en-3 beta-yl 6-carboxyhexyl ether succinimido ester.

  DOI：

  10.1021/jm00160a004
• 作为产物：
  描述：

  cholest-5-en-3β-yl 6-<(p-tolylsulfonyl)oxy>hexyl ether 在 sodium hydroxide 、 sodium iodide 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 22.0h， 生成 cholest-5-en-3β-yl 6-mercaptohexyl ether
  参考文献：
  名称：

  Functional cholesteryl binding agents: synthesis, characterization, and evaluation of antibody binding to modified phospholipid vesicles

  摘要：

  A series of functionalized cholesteryl derivatives were synthesized. The various lipophilic protein modification agents were analyzed for their protein binding ability. The binding of human IgG, labeled with 125I, to modified phospholipid vesicles was ascertained. Two agents performed well. These were cholest-5-en-3 beta-yl 5-carboxypentyl ether succinimido ester and cholest-5-en-3 beta-yl 6-carboxyhexyl ether succinimido ester.

  DOI：

  10.1021/jm00160a004

文献信息

• Immunologic adjuvant
  申请人：Merck & Co., Inc.

  公开号：US04229441A1

  公开（公告）日：1980-10-21

  Glycolipid compounds of the formulae ##STR1## wherein R is ##STR2## are useful immunologic adjuvants in vaccines.

  公式为##STR1##其中R为##STR2##的糖脂类化合物是疫苗中有用的免疫佐剂。
• Ponpipom, M. M.; Bugianesi, R. L.; Shen, T.Y., Canadian Journal of Chemistry, 1980, vol. 58, p. 214 - 220
  作者：Ponpipom, M. M.、Bugianesi, R. L.、Shen, T.Y.

  DOI：——

  日期：——
• Functional cholesteryl binding agents: synthesis, characterization, and evaluation of antibody binding to modified phospholipid vesicles
  作者：Timothy R. Carroll、Alan Davison、Alun G. Jones

  DOI：10.1021/jm00160a004

  日期：1986.10

  A series of functionalized cholesteryl derivatives were synthesized. The various lipophilic protein modification agents were analyzed for their protein binding ability. The binding of human IgG, labeled with 125I, to modified phospholipid vesicles was ascertained. Two agents performed well. These were cholest-5-en-3 beta-yl 5-carboxypentyl ether succinimido ester and cholest-5-en-3 beta-yl 6-carboxyhexyl ether succinimido ester.