2,6,7-trimethyl-3-[(2'E,6'E)-3',7',11'-trimethyl-2',6',10'-dodecatrienyl]-1,4-naphthoquinone | 162846-96-0

• 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: 2,6,7-trimethyl-3-[(2'E,6'E)-3',7',11'-trimethyl-2',6',10'-dodecatrienyl]-1,4-naphthoquinone
• 英文别名: 2,6,7-trimethyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione
• CAS: 162846-96-0
• 化学式: C₂₈H₃₆O₂
• 分子量: 404.593
• InChiKey: UHIVVFCEUPYRSW-LCAIAVFMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Preparation process of naphthoquinone derivatives and intermediates for the preparation thereof
  申请人：EISAI CHEMICAL CO., LTD.

  公开号：EP0636598A1

  公开（公告）日：1995-02-01

  Disclosed herein are a naphthoquinone derivative represented by the following formula: wherein R¹ means a hydrogen atom or methyl group, R² is a hydrogen atom or methyl group, n stands for 0 or an integer of 1-9, and a linkage --- is a single bond or double bond with the proviso that if n is an integer of 2-9, the linkages may be identical with or different optionally from each other, such as a vitamin K derivative; and a process for producing the naphthoquinone derivative at a high yield without forming any geometric isomer; as well as 1,4,4a,5,8,9a-hexahydro-4aα-alkenyl-1α,4α-methanoanthraquinone derivatives and 1,4,4a,5,8,9a-hexahydro-1α,4α-methanoanthraquinone derivatives which are useful as intermediates for the preparation of the naphthoquinone derivatives.

  本文公开了一种由下式表示的萘醌衍生物： 其中R¹指氢原子或甲基，R²是氢原子或甲基，n代表0或1-9的整数，连接-----是单键或双键，但如果n是2-9的整数，连接可与维生素K衍生物等相同或有选择地彼此不同；高产率生产萘醌衍生物而不形成任何几何异构体的工艺；以及 1,4,4a,5,8,9a-六氢-4aα-烯基-1α,4α-甲桥蒽醌衍生物和 1,4,4a,5,8,9a-六氢-1α,4α-甲桥蒽醌衍生物，这些衍生物可用作制备萘醌衍生物的中间体。
• US5412124A
  申请人：——

  公开号：US5412124A

  公开（公告）日：1995-05-02
• US5608092A
  申请人：——

  公开号：US5608092A

  公开（公告）日：1997-03-04
• [EN] THERAPEUTIC COMPOSITIONS INCLUDING NAPHTHOQUINONES AND USES THEREOF<br/>[FR] COMPOSITIONS THÉRAPEUTIQUES COMPRENANT DES NAPHTHOQUINONES ET LEURS UTILISATIONS
  申请人：STEALTH PEPTIDES INT INC

  公开号：WO2015183985A2

  公开（公告）日：2015-12-03

  Disclosed herein are methods and compositions for the treatment and/or prevention of diseases or conditions comprising administration of naphthoquinones, and/or naturally or artificially occurring derivatives, analogues, or pharmaceutically acceptable salts thereof, alone or in combination with one or more active agents (e.g., an aromatic-cationic peptide). The present technology provides compositions related to aromatic-cationic peptides linked to naphthoquinones and uses of the same. In some embodiments, the aromatic-cationic peptide comprises 2',6'-dimethyl-Tyr-D-Arg-Phe-Lys-NH2, Phe-D-Arg-Phe-Lys-NH2, or D-Arg-2',6'-Dmt-Lys-Phe-NH2.