1,2-Benzenediol, 4-[(S)-hydroxy-(2S)-2-piperidinylmethyl]- | 739307-60-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1,2-Benzenediol, 4-[(S)-hydroxy-(2S)-2-piperidinylmethyl]-
• 英文别名: 4-[(S)-hydroxy-[(2S)-piperidin-2-yl]methyl]benzene-1,2-diol
• CAS: 739307-60-9
• 化学式: C₁₂H₁₇NO₃
• 分子量: 223.27
• InChiKey: IYMMESGOJVNCKV-CABZTGNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.7
• 氢给体数：
  4
• 氢受体数：
  4

文献信息

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

  公开号：EP1786410A2

  公开（公告）日：2007-05-23
• Treatment of Inflammatory Disorders and Pain
  申请人：Baxter Douglas Andrew

  公开号：US20080096971A1

  公开（公告）日：2008-04-24

  Compounds that may be used for the treatment or prevention of a condition associated with T-cell proliferation or that is mediated by pro-inflammatory cytokines are of formula (I): wherein R 1 is CHR 4 —OR 5 or CHR 4 —SR 5 , or aryl or heteroaryl optionally substituted with one or more groups R 6 ; R 2 is alkyl or is part of a ring with R 3 ; R 3 is H, alkyl or CH 2 (when forming part of a ring with R 2 ); R 4 is H or alkyl or is part of a ring with R 5 ; R 5 is aryl or heteroaryl optionally substituted with R 7 ; each R 6 is independently alkyl, CF 3 , OH, Oalkyl, OCOalkyl, CONH 2 , CN, halogen, NH 2 , NO 2 , NHCHO, NHCONH 2 , NHSO 2 alkyl, CONH 2 , SOMe, SO 2 NH 2 , Salkyl, CH 2 SO 2 alkyl or OCONalkyl 2 ; R 7 is R 8 or (CH 2 ) n OR 8 , R 9 , CF 3 , OH, OR 9 , OCOR 9 , COR 9 , COOR 9 , CONH 2 , CH 2 CONH 2 , CN, halogen, NH 2 , NO 2 , NHCHO, NHCONH 2 , NHCONHR 7 , NHCON(R 9 ) 2 , NHCOR 9 , NHCOaryl, NHSO 2 Me, CONH 2 , SMe, SOMe Or SO 2 NH 2 ; R 8 is (CH 2 ) n OR 9 , (CH 2 ) n OR 9 , (CH 2 ) n COOR 9 or (CH 2 ) n COaryl; R 9 is alkyl or cycloalkyl; and n is 1 to 4; or a salt thereof.
• [EN] THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN<br/>[FR] TRAITEMENT DE TROUBLES ET DE DOULEURS INFLAMMATOIRES
  申请人：ARAKIS LTD

  公开号：WO2006027579A2

  公开（公告）日：2006-03-16

  Compounds that may be used for the treatment or prevention of a condition associated with T-cell proliferation or that is mediated by pro-inflammatory cytokines are of formula (I): wherein R1 is CHR4-OR5 or CHR4-SR5, or aryl or heteroaryl optionally substituted with one or more groups R6; R2 is alkyl or is part of a ring with R3; R3 is H, alkyl or CH2 (when forming part of a ring with R2); R4 is H or alkyl or is part of a ring with R5; R5 is aryl or heteroaryl optionally substituted with R7; each R6 is independently alkyl, CF3, OH, Oalkyl, OCOalkyl, CONH2, CN, halogen, NH2, NO2, NHCHO, NHCONH2, NHSO2alkyl, CONH2, SOMe, SO2NH2, Salkyl, CH2SO2alkyl or OCONalkyl2; R7 is R8 or (CH2)nOR8, R9, CF3, OH, OR9, OCOR9, COR9, COOR9, CONH2, CH2CONH2, CN, halogen, NH2, NO2, NHCHO, NHCONH2, NHCONHR7, NHCON(R9)2, NHCOR9, NHCOaryl, NHSO2Me, CONH2, SMe, SOMe or SO2NH2; R8 is (CH2)nOR9, (CH)nOR9, (CH2)nCOOR9 or (CH2)nCOaryl; R9 is alkyl or cycloalkyl; and n is 1 to 4; or a salt thereof, including clenbuterol and atenolol.