(2R,3S)-3-(4-fluoro-naphthalen-1-yloxy)-3-(3-fluoro-phenyl)-propane-1,2-diol | 693220-65-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2R,3S)-3-(4-fluoro-naphthalen-1-yloxy)-3-(3-fluoro-phenyl)-propane-1,2-diol
• 英文别名: (2R,3S)-3-(4-fluoronaphthalen-1-yl)oxy-3-(3-fluorophenyl)propane-1,2-diol
• CAS: 693220-65-4
• 化学式: C₁₉H₁₆F₂O₃
• 分子量: 330.331
• InChiKey: KRVVXHQDMZUADT-MJGOQNOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake
  申请人：Boulet Louis Serge

  公开号：US20060173035A1

  公开（公告）日：2006-08-03

  There is provided a compound of formula (I) wherein A is selected from —O— and —S—; X is selected from phenyl optionally substituted with up to 5 substituents each independently selected from halo, C 1 -C 4 alkyl and C 1 -C 4 alkoxy, thienyl optionally substituted with up to 3 substituents each independently selected from halo and C 1 -C 4 alkyl, and C 2 -C 8 alkyl, C 2 -C 8 alkenyl, C 3 -C 8 cycloalkyl and C 4 -C 8 cycloalkylalkyl, each of which may be optionally substituted with up to 3 substituents each independently selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2, —CF 3 , —CN and —CONH 2 ; Y is selected from phenyl, naphthyl, dihydrobenzothienyl, benzothiazolyl, benzoisothiazolyl, quinolyl, isoquinolyl, naphthyridyl, thienopyridyl, indanyl, 1,3-benzodioxolyl, benzothienyl, indolyl and benzofuranyl, each of which may be optionally substituted with up to 4 or, where possible, up to 5 substituents each independently selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl-S(O) n — where n is 0, 1 or 2, nitro, acetyl, —CF 3 , —SCF 3 and cyano; and when Y is indolyl it may be substituted or further substituted by an N-substituent selected from C 1 -C 4 alkyl; Z is selected from OR 3 or F, wherein R 3 is selected from H, C 1 -C 6 alkyl and phenyl C 1 -C 6 alkyl; R 1 and R 2 are each independently H or C 1 -C 4 alkyl; and pharmaceutically acceptable salts thereofwith the proviso that when Y is optionally substituted phenyl or optionally substituted 1,3-benzodioxolyl and Z is OR 3 and X is optionally substituted phenyl then A is —S—.
• US7410996B2
  申请人：——

  公开号：US7410996B2

  公开（公告）日：2008-08-12