N-[(2S,3S,4R)-3,4-dihydroxy-1-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoctadecan-2-yl]hexacosanamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: N-[(2S,3S,4R)-3,4-dihydroxy-1-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoctadecan-2-yl]hexacosanamide
• 化学式: C₅₀H₉₉NO₈
• 分子量: 842.3
• InChiKey: KKOZCUQTUVXSML-WIYXIHBISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.5
• 重原子数：
  59
• 可旋转键数：
  43
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  149
• 氢给体数：
  6
• 氢受体数：
  8

文献信息

• BETA-MANNOSYLCERAMIDE AND STIMULATION OF NKT CELL ANTI-TUMOR IMMUNITY
  申请人：The United States of America,as represented by the secretary, Department of Health and Human Service

  公开号：US20140348786A1

  公开（公告）日：2014-11-27

  β-mannosylceramides or salts or solvates thereof in a pharmaceutically acceptable carrier, for use as a Type I NKT cell agonist in conjunction with a therapeutically effective amount of α-galactosylceramide or a salt or a solvate thereof, and/or at least one or more T-cell co-stimulatory molecules, disclosed. Compositions comprising β-mannosylceramide, as well as methods of treatment of tumors are also provided.
• US8835613B2
  申请人：——

  公开号：US8835613B2

  公开（公告）日：2014-09-16
• US9168291B2
  申请人：——

  公开号：US9168291B2

  公开（公告）日：2015-10-27