(2S,3S,4R)-1-(6-deoxy-6-carboxymethylthio-α-D-galactopyranosyloxy)-2-hexacosanoylamino-3,4-octadecandiol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4R)-1-(6-deoxy-6-carboxymethylthio-α-D-galactopyranosyloxy)-2-hexacosanoylamino-3,4-octadecandiol
• 英文别名: 2-[[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxyoctadecoxy]-3,4,5-trihydroxyoxan-2-yl]methylsulfanyl]acetic acid
• 化学式: C₅₂H₁₀₁NO₁₀S
• 分子量: 932.441
• InChiKey: GDYYOHRSEJPJAH-PWIBDSRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  64
• 可旋转键数：
  47
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  211
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  (2S,3S,4R)-2-hexacosanoylamino-1-(2,3,4-tri-O-acetyl-6-deoxy-6-acetylthio-α-D-galactopyranosyloxy)-3,4-di(acetyloxy)octadecane 在 甲醇 、 sodium methylate 、 三乙胺 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 (2S,3S,4R)-1-(6-deoxy-6-carboxymethylthio-α-D-galactopyranosyloxy)-2-hexacosanoylamino-3,4-octadecandiol
  参考文献：
  名称：

  [EN] SPHINGOGLYCOLIPID ANALOGUES
  [FR] ANALOGUES DE SPHINGOGLYCOLIPIDES

  摘要：

  这项发明涉及对类脂的类似物，这些类似物在治疗或预防与感染、特应性疾病、自身免疫疾病或癌症相关的疾病和症状方面具有用处。

  公开号：

  WO2014200363A1

文献信息

• SPHINGOGLYCOLIPID ANALOGUES
  申请人：ANDERSON Regan James

  公开号：US20160136267A1

  公开（公告）日：2016-05-19

  The invention relates to sphingoglycolipid analogues which are useful in treating or preventing diseases and conditions such as those relating to infection, atopic disorders, autoimmune diseases or cancer.
• US9717790B2
  申请人：——

  公开号：US9717790B2

  公开（公告）日：2017-08-01
• [EN] IMMUNOSTIMULATORY COMPOSITIONS<br/>[FR] COMPOSITIONS IMMUNOSTIMULANTES
  申请人：[en]VICTORIA LINK LIMITED

  公开号：WO2023121483A1

  公开（公告）日：2023-06-29

  The present application is directed to immunomodulatory compositions comprising invariant NKT cell (iNKT cell) agonist compounds that induce expansion of tissue resident memory T-cells (Trm Cells) in combination with an immune stimulator agent that enhances an immune response to a target antigen or a polynucleotide encoding the immune stimulator. The iNKT agonists are a-GalCer analogue compounds modified at the 6 position of the galactose ring. The immune stimulator is an antigen or an mRNA encoding an antigen to create a vaccine formulation. These combinations are used in the treatment of infection or cancer in a subject, or to enrich the number of Trm cells in the liver of a subject.