3-[2,5,7,8-tetramethyl-2-(4,8-dimethylnonyl)chroman-6-yloxy]propionic acid | 889676-46-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-[2,5,7,8-tetramethyl-2-(4,8-dimethylnonyl)chroman-6-yloxy]propionic acid
• 英文别名: 3-[2-(4,8-dimethyl-nonyl)-2,5,7,8-tetramethyl-chroman-6-yloxy]-propionic acid；3-[[2-(4,8-Dimethylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]propanoic acid
• CAS: 889676-46-4
• 化学式: C₂₇H₄₄O₄
• 分子量: 432.644
• InChiKey: BFLSCLGFZZKDGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• ANTIADHESION AGENTS
  申请人：Chen Ching-Shih

  公开号：US20100267820A1

  公开（公告）日：2010-10-21

  Vitamin E succinate derivatives according to formula I: are described. These compounds can be included in pharmaceutical compositions, and can be used for the treatment of cancers such as metastatic cancer and as antiadhesive agents.

  描述了公式I的维生素E琥珀酸酯衍生物。这些化合物可以包含在药物组合物中，并可用于治疗转移性癌症和作为抗粘附剂。
• ANTICANCER AGENTS
  申请人：THE OHIO STATE RESEARCH FOUNDATION

  公开号：EP1986635A2

  公开（公告）日：2008-11-05
• EP1986635A4
  申请人：——

  公开号：EP1986635A4

  公开（公告）日：2009-04-22
• Anticancer agents
  申请人：Chen Ching-Shih

  公开号：US20080009545A1

  公开（公告）日：2008-01-10

  Compounds of formula I: wherein X is selected from oxygen, nitrogen and sulfur; n is 0 or 1; R 1 is selected from alkyl, carboxylic acid, carboxylate, carboxamide, ester and combinations thereof; R 2 is selected from alkyl, substituted alkyl, carboxylic acid, carboxylate, carboxamide, sulfonyl, sulfonamide and combinations thereof; and derivatives and metabolites thereof. Further provided are methods of using a compound of formula I to prevent and/or treat a subject having a condition characterized by unwanted cell proliferation. Also provided are pharmaceutical compounds comprising one or more compounds of formula I, or derivatives or pharmaceutically acceptable salts thereof.
• ANTICANCER TOCOPHERYL SUCCINATE DERIVATIVES
  申请人：Chen Ching-Shih

  公开号：US20100273871A1

  公开（公告）日：2010-10-28

  Compounds of formula I: wherein X is selected from oxygen, nitrogen and sulfur; n is 0 or 1; R 1 is selected from alkyl, carboxylic acid, carboxylate, carboxamide, ester and combinations thereof; R 2 is selected from alkyl, substituted alkyl, carboxylic acid, carboxylate, carboxamide, sulfonyl, sulfonamide and combinations thereof; and derivatives and metabolites thereof. Further provided are methods of using a compound of formula I to prevent and/or treat a subject having a condition characterized by unwanted cell proliferation. Also provided are pharmaceutical compounds comprising one or more compounds of formula I, or derivatives or pharmaceutically acceptable salts thereof.