Tetradecanoic acid (4aR,6R,7R,8R,8aS)-6-benzyloxy-2,2-dimethyl-7-(3-tetradecanoyloxy-tetradecanoylamino)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester | 89756-50-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 糖脂
• 英文名称: Tetradecanoic acid (4aR,6R,7R,8R,8aS)-6-benzyloxy-2,2-dimethyl-7-(3-tetradecanoyloxy-tetradecanoylamino)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester
• 英文别名: [(4aR,6R,7R,8R,8aS)-2,2-dimethyl-6-phenylmethoxy-7-(3-tetradecanoyloxytetradecanoylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] tetradecanoate
• CAS: 89756-50-3
• 化学式: C₅₈H₁₀₁NO₉
• 分子量: 956.441
• InChiKey: GEXUKIYDBGPXPU-GSRVIDBPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19
• 重原子数：
  68
• 可旋转键数：
  44
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Tetradecanoic acid (4aR,6R,7R,8R,8aS)-6-benzyloxy-2,2-dimethyl-7-(3-tetradecanoyloxy-tetradecanoylamino)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester 生成 [(4aR,7R,8R,8aS)-6-hydroxy-2,2-dimethyl-7-(3-tetradecanoyloxytetradecanoylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] tetradecanoate
  参考文献：
  名称：

  OGAWA, YUJI;FUJISHIMA, YUSHUN;KONISHI, ISAKO;KISO, MAKOTO;HASEGAWA, AKIRA, J. CARBOHYDR. CHEM., 6,(1987) N 3, 399-410

  摘要：

  DOI：
• 作为产物：
  描述：

  benzyl 3,4,6-tri-O-acetyl-2-deoxy-2-(DL-3-hydroxytetradecanoylamino)-β-D-glucopyranoside 在 吡啶 、 4-二甲氨基吡啶 、 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 生成 Tetradecanoic acid (4aR,6R,7R,8R,8aS)-6-benzyloxy-2,2-dimethyl-7-(3-tetradecanoyloxy-tetradecanoylamino)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester
  参考文献：
  名称：

  Synthesis of Biologically Active, Novel Monosaccharide Analogs of Lipid A

  摘要：

  DOI：

  10.1080/00021369.1984.10866131

文献信息

• GLUCOPYRANOSE DERIVATIVES AND PREVENTIVES AND/OR REMEDIES FOR HIV INFECTION CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1095653A9

  公开（公告）日：2002-04-03

  The present invention relates to a medicament for preventing and / or treating HIV infectious diseases comprising a compound of formula (J) as active ingredient and glucopyranose derivative of formula (W) or non-toxic salts thereof (the symbols in the formula are as described in the specification).A glucopyranose derivative of formulae (J) or (W) or a non-toxic salt thereof is useful as a medicament for preventing and / or treating HIV infectious diseases (AIDS).

  本发明涉及一种预防和/或治疗HIV感染疾病的药物，其包括公式（J）化合物作为活性成分和公式（W）的葡萄糖吡喃糖衍生物或其非毒性盐（公式中的符号如规范中所述）。公式（J）或（W）的葡萄糖吡喃糖衍生物或其非毒性盐可用作预防和/或治疗HIV感染疾病（艾滋病）的药物。
• XASEHGAVA, AKIRA;KISO, MAKOTO;MORIXARA, KADZUYUKI
  作者：XASEHGAVA, AKIRA、KISO, MAKOTO、MORIXARA, KADZUYUKI

  DOI：——

  日期：——
• OGAWA, YUJI;FUJISHIMA, YUSHUN;KONISHI, ISAKO;KISO, MAKOTO;HASEGAWA, AKIRA, J. CARBOHYDR. CHEM., 6,(1987) N 3, 399-410
  作者：OGAWA, YUJI、FUJISHIMA, YUSHUN、KONISHI, ISAKO、KISO, MAKOTO、HASEGAWA, AKIRA

  DOI：——

  日期：——
• Glucopyranose derivatives and medicaments for preventing and/or treating HIV infection diseases comprising the same as an active ingredient
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：US20040072767A1

  公开（公告）日：2004-04-15

  The present invention relates to a medicament for preventing and/or treating HIV infectious diseases comprising a compound of formula (J) as active ingredient and glucopyranose derivative of formula (W) or non-toxic salts thereof (the symbols in the formula are as described in the specification). A glucopyranose derivative of formulae (J) or (W) or a non-toxic salt thereof is useful as a medicament for preventing and/or treating HIV infectious disease (AIDS). 1
• Synthesis of Biologically Active, Novel Monosaccharide Analogs of Lipid A
  作者：Makoto Kiso、Hideharu Ishida、Akira Hasegawa

  DOI：10.1080/00021369.1984.10866131

  日期：1984.1