三白脂素 A | 88497-87-4

• 物质功能分类: 天然产物 - 木脂素
• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 呋喃类木脂素
• 中文名称: 三白脂素 A
• 中文别名: 三白脂素A
• 英文名称: manassantin A
• 英文别名: 1-(3,4-Dimethoxyphenyl)-2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol
• CAS: 88497-87-4
• 化学式: C₄₂H₅₂O₁₁
• 分子量: 732.868
• InChiKey: ZGXXNVOBEIRACL-UHFFFAOYSA-N

物化性质

• 熔点：
  82-85℃
• 沸点：
  836.0±65.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  53
• 可旋转键数：
  16
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  11

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  三白脂素 A 生成 Acetic acid 2-[4-(5-{4-[2-acetoxy-2-(3,4-dimethoxy-phenyl)-1-methyl-ethoxy]-3-methoxy-phenyl}-3,4-dimethyl-tetrahydro-furan-2-yl)-2-methoxy-phenoxy]-1-(3,4-dimethoxy-phenyl)-propyl ester
  参考文献：
  名称：

  Manassantins A/B and saucerneol: novel biologically active lignoids from

  摘要：

  DOI：

  10.1016/s0040-4039(01)99818-1

文献信息

• [EN] MANASSANTIN COMPOUNDS AND METHODS OF MAKING AND USING SAME<br/>[FR] COMPOSÉS DE MANASSANTIN ET LEURS PROCÉDÉS DE PRODUCTION ET D'UTILISATION
  申请人：UNIV DUKE

  公开号：WO2010059858A1

  公开（公告）日：2010-05-27

  Provided are manassantin compounds and methods of using the compounds. Provided are methods of treating a disease, the method comprising administering a compound according to Formula I. Further provided are pharmaceutical compositions comprising compounds according to Formula I. Also provided are methods of inhibiting HIF-1 in a cell, the methods comprising administering to the cell a compound according to Formula I.

  提供了manassantin化合物和使用该化合物的方法。提供了治疗疾病的方法，该方法包括给予符合公式I的化合物。另外提供了包含符合公式I的化合物的药物组合物。还提供了在细胞中抑制HIF-1的方法，该方法包括给予细胞符合公式I的化合物。
• SAURURUS CERNUUS COMPOUNDS THAT INHIBIT CELLULAR RESPONSES TO HYPOXIA
  申请人：Nagle Dale G.

  公开号：US20090137664A1

  公开（公告）日：2009-05-28

  Compounds and compositions that effectively block hypoxia-inducible factor-1 function, and methods of use thereof. The compounds and compositions of the present invention are useful in the prevention and treatment of cancer, stroke, heart disease, ocular neovascular diseases, and arthritis.
• MANASSATIN COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Hong Jiyong

  公开号：US20110230540A1

  公开（公告）日：2011-09-22

  Provided are manassantin compounds and methods of using the compounds. Provided are methods of treating a disease, the method comprising administering a compound according to Formula I. Further provided are pharmaceutical compositions comprising compounds according to Formula I. Also provided are methods of inhibiting HIF-1 in a cell, the methods comprising administering to the cell a compound according to Formula I.
• US8946289B2
  申请人：——

  公开号：US8946289B2

  公开（公告）日：2015-02-03