estra-1,3,5(10)-trien-17α-ol | 20576-40-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: estra-1,3,5(10)-trien-17α-ol
• 英文别名: 1,3,5(10)-Oestratrien-17alpha-ol；(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
• CAS: 20576-40-3
• 化学式: C₁₈H₂₄O
• 分子量: 256.388
• InChiKey: MUENRDYXOADTOC-SFFUCWETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• [EN] 15β-SUBSTITUTED ESTRONE DERIVATIVES AS SELECTIVE INHIBITORS OF 17β-HYDROXYSTEOID-DEHYDROGENASES, METHOD OF PREPARATION AND USE THEREOF<br/>[FR] DÉRIVÉS D'ŒSTRONE SUBSTITUÉS EN 15Β EN TANT QU'INHIBITEURS SÉLECTIFS DE 17Β-HYDROXYSTÉROÏDES DÉSHYDROGÉNASES, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I

  公开号：WO2017211330A1

  公开（公告）日：2017-12-14

  15β-substituted derivatives of estrone of general formula I wherein R1, R2, R3, R4, R5 are independently selected from the group consisting of: C1-C4 alkyl, C1-C4 alkoxy, C1-C4 halogenalkyl, halogen, COOR6 wherein R6 is C1-C4 alkyl; H, OH; optionally, R3, R4 and R5 are each formed by a hydrogen atom, while R1 and R2 together form an aryl group, preferably naphthyl; wherein the aromatic ring in position C-15 can be mono-, di-, tri-, tetra- and penta- substituted with substituents R1-R5. Compounds of the invention may be used for diagnosis and possibly also for the treatment of estrogen-dependent diseases.

  通式I的15β-取代雌酮衍生物，其中R1、R2、R3、R4、R5分别独立地选择自以下组：C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、卤素、COOR6，其中R6是C1-C4烷基；H、OH；可选地，R3、R4和R5各自由氢原子形成，而R1和R2共同形成芳基，优选萘基；其中位置C-15的芳环可以是单取代、双取代、三取代、四取代和五取代，取代基为R1-R5。该发明的化合物可用于诊断和可能治疗雌激素依赖性疾病。
• 15β-substituted estrone derivatives as selective inhibitors of 17β-hydroxysteroid-dehydrogenases, method of preparation and use thereof
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I.

  公开号：US10759826B2

  公开（公告）日：2020-09-01

  15β-substituted derivatives of estrone of general formula I wherein R1, R2, R3, R4, R5 are independently selected from the group consisting of: C1-C4 alkyl, C1-C4 alkoxy, C1-C4 halogenalkyl, halogen, COOR6 wherein R6 is C1-C4 alkyl; H, OH; optionally, R3, R4 and R5 are each formed by a hydrogen atom, while R1 and R2 together form an aryl group, preferably naphthyl, in which the aromatic ring in position C-15 can be mono-, di-, tri-, tetra- and penta-substituted with substituents R1-R5. Compounds of the invention may be used for diagnosis and possibly also for the treatment of estrogen-dependent diseases.

  通式 I 的 15β-取代的雌酮衍生物 其中 R1、R2、R3、R4、R5 独立地选自由以下组成的组：C1-C4烷基、C1-C4烷氧基、C1-C4卤代烷基、卤素、COOR6（其中R6为C1-C4烷基）、H、OH；任选地，R3、R4和R5各自由一个氢原子构成，而R1和R2共同形成一个芳基，优选萘基，其中C-15位的芳环可以被取代基R1-R5单取代、二取代、三取代、四取代和五取代。本发明的化合物可用于诊断，也可用于治疗雌激素依赖性疾病。
• 15B-SUBSTITUTED ESTRONE DERIVATIVES AS SELECTIVE INHIBITORS OF 17B-HYDROXYSTEOID-DEHYDROGENASES, METHOD OF PREPARATION AND USE THEREOF
  申请人：Ustav Organicke Chemie a Biochemie AV CR, v.v.i.

  公开号：EP3464314A1

  公开（公告）日：2019-04-10
• APPARATUS AND PROCESS FOR PREPARING REACTIVE LIGNIN WITH HIGH YIELD FROM PLANT BIOMASS FOR PRODUCTION OF FUELS AND CHEMICALS
  申请人：Washington State University

  公开号：US20150099868A1

  公开（公告）日：2015-04-09

  Provided are methods for aqueous isolation of depolymerized lignin in high yield from a lignin-containing biomass composition, comprising positioning a lignin-containing biomass composition into a flowthrough thermal reactor chamber to provide for passage of an aqueous fluid therethrough, contacting the lignin biomass composition with the aqueous fluid under elevated temperature conditions sufficient to provide for lignin release and depolymerization, flowing the aqueous fluid through the reactor chamber under the elevated temperature conditions, to provide an output aqueous fluid comprising released depolymerized lignin, and collecting the depolymerized lignin. Particular aspects further comprise hydrogenation and/or hydrodeoxygenation (HDO) of the released depolymerized lignin with a catalyst or catalyst system for deconstruction of the released depolymerized lignin into lower molecular weight reactive lignin moieties and oligomers amenable for subsequent removal of oxygen to produce hydrocarbon fuels and/or chemicals and/or compounds. Systems for practicing the methods are also provided, along with highly purified depolymerized lignin.
• 15beta-substituted estrone derivatives as selective inhibitors of 17beta-hydroxysteoid-dehydrogenases, method of preparation and use thereof
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I.

  公开号：US20190330258A1

  公开（公告）日：2019-10-31

  15β-substituted derivatives of estrone of general formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 are independently selected from the group consisting of: C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 halogenalkyl, halogen, COOR 6 wherein R 6 is C 1 -C 4 alkyl; H, OH; optionally, R 3 , R 4 and R 5 are each formed by a hydrogen atom, while R 1 and R 2 together form an aryl group, preferably naphthyl, in which the aromatic ring in position C-15 can be mono-, di-, tri-, tetra- and penta-substituted with substituents R 1 -R 5 . Compounds of the invention may be used for diagnosis and possibly also for the treatment of estrogen-dependent diseases.