5-[1-Hydroxy-2-(2-hydroxy-1-methyl-ethylamino)-ethyl]-benzene-1,3-diol | 63547-00-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-[1-Hydroxy-2-(2-hydroxy-1-methyl-ethylamino)-ethyl]-benzene-1,3-diol
• 英文别名: 5-[1-Hydroxy-2-(1-hydroxypropan-2-ylamino)ethyl]benzene-1,3-diol
• CAS: 63547-00-2
• 化学式: C₁₁H₁₇NO₄
• 分子量: 227.26
• InChiKey: AKELIFMHWYCJCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  93
• 氢给体数：
  5
• 氢受体数：
  5

文献信息

• THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN
  申请人：Sosei R&D Ltd.

  公开号：EP1896393A1

  公开（公告）日：2008-03-12
• Treatment of Inflammatory Disorders and Pain
  申请人：Baxter Andrew Douglas

  公开号：US20080306162A1

  公开（公告）日：2008-12-11

  A compound that is useful for the treatment or prevention of a condition such as pain, that is associated with T-cell proliferation or that is mediated by pro- and/or anti-inflammatory cytokines, is of formula (I) wherein R 1 is aryl or heteroaryl optionally substituted with R 5 ; R 2 is H, alkyl or CH 2 OH and can be part of a ring with R 4 ; R 3 is H, alkyl or CH 2 OH and can be part of a ring with R 4 ; R 4 is H or alkyl or CH 2 (when forming part of a ring with R 2 or R 3 ); and R 5 is alkyl, CF 3 , OH, Oalkyl, OCOalkyl, CONH 2 , CN, F, Cl, Br, I, NH 2 , NHCHO, NHCONH 2 , NHSO 2 alkyl, CONH 2 , SOMe, CH 2 OH or OCONalkyl 2 ; or a salt thereof.
• [EN] THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN<br/>[FR] TRAITEMENT DE TROUBLES ET DE DOULEURS INFLAMMATOIRES
  申请人：SOSEI R & D LTD

  公开号：WO2007003896A1

  公开（公告）日：2007-01-11

  [EN] A compound that is useful for the treatment or prevention of a condition such as pain, that is associated with T-cell proliferation or that is mediated by pro- and/or anti-inflammatory cytokines, is of formula (I) wherein R₁ is aryl or heteroaryl optionally substituted with R₅; R₂ is H, alkyl or CH₂OH and can be part of a ring with R₄; R₃ is H, alkyl or CH₂OH and can be part of a ring with R₄; R₄ is H or alkyl or CH₂ (when forming part of a ring with R₂ or R₃); and R₅ is alkyl, CF₃, OH, Oalkyl, OCOalkyl, CONH₂, CN, F, Cl, Br, I, NH₂, NO₂, NHCHO, NHCONH₂, NHSO₂alkyl, CONH₂, SOMe, CH₂OH or OCONalkyl₂; or a salt thereof.
  [FR] L'invention concerne un composé qui est utile dans le traitement ou la prévention d'une affection telle qu'une douleur, qui est associée à la prolifération de cellules T ou qui est provoquée par des cytokines pro- et/ou anti-inflammatoires, selon la formule (I) dans laquelle R₁ est un aryle ou un hétéroaryle éventuellement substitué par R₅ ; R₂ est H, un alkyle ou CH₂OH et peut faire partie d'un anneau avec R₄ ; R₃ est H, un alkyle ou CH₂OH et peut faire partie d'un anneau avec R₄ ; R₄ est H ou un alkyle ou CH₂ (lorsqu'il constitue un anneau avec R₂ ou R₃) ; et R₅ est un alkyle, CF₃, OH, Oalkyle, OCOalkyle, CONH₂, CN, F, Cl, Br, I, NH₂, NO₂, NHCHO, NHCONH₂, NHSO₂alkyle, CONH₂, SOMe, CH₂OH ou OCONalkyle₂ ; ou un sel de ceux-ci.