2-(10-hydroxydeca-5,8-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione | 80809-71-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(10-hydroxydeca-5,8-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
• 英文别名: 2-(10-Hydroxydeca-5,8-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione；2-(10-hydroxydeca-5,8-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
• CAS: 80809-71-8
• 化学式: C₁₉H₂₂O₃
• 分子量: 298.382
• InChiKey: UJXWAYSLVBVFQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(10-hydroxydeca-5,8-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione 在 Lindlar's catalyst 喹啉 、 氢气 、 三氯化铁 作用下， 生成 2-[(5Z,8Z)-10-hydroxydeca-5,8-dienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Shiraishi, Mitsuru; Terao, Shinji, Journal of the Chemical Society. Perkin transactions I, 1983, # 8, p. 1591 - 1599

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(2,5-dimethoxy-3,4,6-trimethylphenyl)butan-1-ol 在 ammonium cerium(IV) nitrate 、 乙基溴化镁 、 对甲苯磺酸 、 sodium amide 、 三乙胺 、 sodium iodide 、 copper(I) bromide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 丙酮 、 乙腈 为溶剂， 反应 12.34h， 生成 2-(10-hydroxydeca-5,8-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Shiraishi, Mitsuru; Terao, Shinji, Journal of the Chemical Society. Perkin transactions I, 1983, # 8, p. 1591 - 1599

  摘要：

  DOI：

文献信息

• BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS
  申请人：Edison Pharmaceuticals, Inc.

  公开号：EP2892515A1

  公开（公告）日：2015-07-15
• QUINONE DERIVATIVES FOR USE IN THE MODULATION OF REDOX STATUS OF INDIVIDUALS
  申请人：Edison Pharmaceuticals, Inc.

  公开号：EP2892516A1

  公开（公告）日：2015-07-15
• US9629815B2
  申请人：——

  公开号：US9629815B2

  公开（公告）日：2017-04-25
• [EN] QUINONE DERIVATIVES FOR USE IN THE MODULATION OF REDOX STATUS OF INDIVIDUALS<br/>[FR] DÉRIVÉS QUINONE DESTINÉS À ÊTRE UTILISÉS DANS LA MODULATION DE L'ÉTAT D'OXYDORÉDUCTION CHEZ DES INDIVIDUS
  申请人：EDISON PHARMACEUTICALS INC

  公开号：WO2014039862A1

  公开（公告）日：2014-03-13

  Methods of modulating, adjusting, and maintenance of the glutathione redox status of an individual, or cell, tissues, bodily fluids, or body compartments of the individual, are disclosed, as are compositions suitable for such modulating, adjusting, and maintenance. The modulation or adjustment is achieved by altering the amounts of reduced glutathione versus oxidized glutathione in the individual, or cells, tissues, bodily fluids, or body compartments of the individual. Modulation, adjustment, and maintenance of the redox status of an individual enables treatment, prevention or suppression of diseases or symptoms associated with diseases. These methods are achieved by using quinone derivatives.
• [EN] BENZOQUINONE DERIVATIVES FOR TREATING OXIDATIVE STRESS DISORDERS<br/>[FR] DÉRIVÉS DE BENZOQUINONE DE TRAITEMENT DE TROUBLES LIÉS AU STRESS OXYDATIF
  申请人：EDISON PHARMACEUTICALS INC

  公开号：WO2014039917A1

  公开（公告）日：2014-03-13

  Disclosed herein are compounds and methods of using such compounds for treating or suppressing oxidative stress disorders, including mitochondrial disorders, impaired energy processing disorders, neurodegenerative diseases and diseases of aging, or for modulating one or more energy biomarkers, normalizing one or more energy biomarkers, or enhancing one or more energy biomarkers, wherein the compound is a compound of Formula I or Formula II: wherein: R1 and R2 are independently hydrogen,(C1-C6)alkyl or -O(C1-C6)alkyl; or R1 and R2 together represent -CH=CH-CH=CH-; R3 is (C1-C6)alkyl; X is -CH=CH- or -C≡C-; m is 1- 10; n is 1-5; k is 1-3, with the proviso that when k is an integer of 2 or 3, n is independently 1-5 in each occurrence of the -X-(CH2)n- group; Y is -OR4, -CN, -C(=0)OR5, -C(=0)R5, or - C(=0)N(R6)2; R4 and R5 are independently selected from the group consisting of hydrogen, -(C1- C6)alkyl, -(C1-C6)haloalkyl, -C(=0)-(C1-C6)alkyl, -C(=0)-(C1-C6)haloalkyl, -C(=0)-NH(C1- C6)alkyl, -C(=0)-N((C1-C6)alkyl)2, -C(=0)-NH2, and phenyl, wherein the phenyl group may optionally be substituted with a substituent selected from the group consisting of -(C1- C6)alkyl, -0-(C1-C6)alkyl, -(C1-C6)haloalkyl, and halo; each R6 is independently hydrogen or -(C1-C6)alkyl; and M is -H, -C(0)-R7 or -C(0)0-R7, wherein R7 is -(C1-C6)alkyl or phenyl; or a stereoisomer, mixture of stereoisomers, pharmaceutically acceptable salt, crystalline form, non-crystalline form, hydrate or solvate thereof.