CRX-526 | 245515-64-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: CRX-526
• 英文别名: Hexanoic acid, (1R)-1-(2-(((1S)-1-carboxy-2-((2-deoxy-3-O-((3R)-1-oxo-3-((1-oxohexyl)oxy)tetradecyl)-2-(((3R)-1-oxo-3-((1-oxohexyl)oxy)tetradecyl)amino)-4-O-phosphono-beta-D-glucopyranosyl)oxy)ethyl)amino)-2-oxoethyl)dodecyl ester；(2S)-2-[[(3R)-3-hexanoyloxytetradecanoyl]amino]-3-[(2R,3R,4R,5S,6R)-3-[[(3R)-3-hexanoyloxytetradecanoyl]amino]-4-[(3R)-3-hexanoyloxytetradecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxypropanoic acid
• CAS: 245515-64-4
• 化学式: C₆₉H₁₂₇N₂O₁₉P
• 分子量: 1319.74
• InChiKey: PRIXXGNJDNLMBH-DPGPRPECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18
• 重原子数：
  91
• 可旋转键数：
  65
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  306
• 氢给体数：
  6
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  (R)-3-Hexanoyloxy-tetradecanoic acid (2R,3R,4R,5S,6R)-2-[(S)-2-carboxy-2-((R)-3-hexanoyloxy-tetradecanoylamino)-ethoxy]-5-(diphenoxy-phosphoryloxy)-3-((R)-3-hexanoyloxy-tetradecanoylamino)-6-hydroxymethyl-tetrahydro-pyran-4-yl ester 在 platinum(IV) oxide 氢气 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 CRX-526
  参考文献：
  名称：

  Synthesis and biological evaluation of a new class of vaccine adjuvants: aminoalkyl glucosaminide 4-phosphates (AGPs)

  摘要：

  A novel series of acylated omega-aminoalkyl 2-amino-2-deoxy-4-phosphono-beta-D-glucopyranosides (aminoalkyl glucosaminide 4-phosphates) was synthesized and screened for immunostimulant activity. Several of these compounds enhance the production of tetanus toroid-specific antibodies in mice and augment vaccine-induced cytotoxic T cells against EG.7-ova target cells. (C) 1999 Elsevier Science Ltd. Pill rights reserved.

  DOI：

  10.1016/s0960-894x(99)00374-1