[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (2S)-2,6-diaminohexanoate | 729556-02-9

• 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: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (2S)-2,6-diaminohexanoate
• CAS: 729556-02-9
• 化学式: C₃₅H₆₂N₂O₃
• 分子量: 558.889
• InChiKey: NDQXIKHIVCAATF-IFFSPGTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  40
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  87.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (2S)-2,6-diaminohexanoate 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of analogs of vitamin E: Antiproliferative activity against human breast adenocarcinoma cells

  摘要：

  Analogs of alpha-tocopherol (vitamin E; compounds 3-9) have been synthesized and tested for their antiproliferative activity using the human breast cancer cell line, MCF7. Compounds 6-9 were synthesized from a common synthon, rac-Trolox (14) and are soluble/miscible at physiological pH. Compounds 4, 8, and 9 were found to have antiproliferative activity at micromolar concentrations. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00438-7
• 作为产物：
  描述：

  天然维生素E 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (2S)-2,6-diaminohexanoate
  参考文献：
  名称：

  Design and synthesis of analogs of vitamin E: Antiproliferative activity against human breast adenocarcinoma cells

  摘要：

  Analogs of alpha-tocopherol (vitamin E; compounds 3-9) have been synthesized and tested for their antiproliferative activity using the human breast cancer cell line, MCF7. Compounds 6-9 were synthesized from a common synthon, rac-Trolox (14) and are soluble/miscible at physiological pH. Compounds 4, 8, and 9 were found to have antiproliferative activity at micromolar concentrations. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00438-7

文献信息

• Amino Acid Vitamin Ester Compositions for Controlled Delivery of Pharmaceutically Active Compounds
  申请人：Murthy Yerramilli V.S.N.

  公开号：US20090023678A1

  公开（公告）日：2009-01-22

  The invention relates to pharmaceutical compositions that provide sustained-release of a pharmaceutically active compound and to methods of treating or preventing a condition in an animal by administering the pharmaceutical compositions to the animal. When the pharmaceutical compositions are administered to an animal by injection, they form a drug depot that releases the pharmaceutically active compound over time. The pharmaceutical compositions can also be administered orally.

  本发明涉及药物组合物，该组合物提供药物活性化合物的持续释放，并涉及通过将该药物组合物投与动物来治疗或预防某种疾病的方法。当该药物组合物通过注射方式投与动物时，它们形成一个药物沉积物，随着时间的推移释放药物活性化合物。该药物组合物也可以通过口服方式投与动物。
• US8828960B2
  申请人：——

  公开号：US8828960B2

  公开（公告）日：2014-09-09