5-Chloro-N-{(1S, 2R)-4,4,4-trifluoro-1-[(1S)-1-hydroxyethyl]-2-methylbutyl}thiophene-2-sulfonamide | 769169-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 5-Chloro-N-{(1S, 2R)-4,4,4-trifluoro-1-[(1S)-1-hydroxyethyl]-2-methylbutyl}thiophene-2-sulfonamide
• 英文别名: 5-chloro-N-[(2S,3S,4R)-6,6,6-trifluoro-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
• CAS: 769169-36-0
• 化学式: C₁₁H₁₅ClF₃NO₃S₂
• 分子量: 365.825
• InChiKey: QVABCUVQNARZAT-FWWHASMVSA-N

物化性质

• 沸点：
  422.0±55.0 °C(Predicted)
• 密度：
  1.431±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF
  申请人：Kreft Anthony Frank

  公开号：US20090227667A1

  公开（公告）日：2009-09-10

  Compounds of Formula (I), are provided where T is CHO, COR 8 , or C(OH)R 1 R 2 ; R 1 and R 2 are hydrogen, optionally substituted lower alkyl, CF 3 , optionally substituted alkenyl, or optionally substituted alkynyl; R 3 is hydrogen or optionally substituted lower alkyl; R 4 is (CF 3 ) n alkyl, (CF 3 ) n (substitutedalkyl), (CF 3 ) n alkylphenyl, (CF 3 ) n alkyl(substitutedphenyl), or (F) n cycloalkyl; n=1-3; R 5 is hydrogen, halogen, CF 3 , diene fused to Y when Y=C, or substituted diene fused to Y when Y=C; W, Y and Z are C, CR 6 or N where at least one of W, Y or Z are C; R 6 is hydrogen, halogen, or optionally substituted lower alkyl; X is O, S, SO 2 , or NR 7 ; R 7 is hydrogen, optionally substituted lower alkyl, optionally substituted benzyl, or optionally substituted phenyl; and R 8 is lower alkyl, CF 3 , or optionally substituted phenyl. Methods of preparing and using these compounds for inhibiting beta amyloid production and for treatment of Alzheimer's Disease and Down's syndrome are also described.

  提供了化学式（I）的化合物，其中T为CHO，COR8或C（OH）R1R2; R1和R2为氢，可选取代的低级烷基，CF3，可选取代的烯基或可选取代的炔基; R3为氢或可选取代的低级烷基; R4为（ ）n烷基，（ ）n（取代烷基），（ ）n烷基苯基，（ ）n烷基（取代苯基）或（F）n环烷基; n = 1-3; R5为氢，卤素， ，与Y融合的二烯或与Y融合的取代二烯，当Y = C时; W，Y和Z为C，CR6或N，其中至少有一个为C; R6为氢，卤素或可选取代的低级烷基; X为O，S，SO2或NR7; R7为氢，可选取代的低级烷基，可选取代的苄基或可选取代的苯基; R8为低级烷基， 或可选取代的苯基。还描述了制备和使用这些化合物来抑制β淀粉样蛋白生成以及治疗阿尔茨海默病和唐氏综合症的方法。
• Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof
  申请人：Kreft Frank Anthony

  公开号：US20070254929A1

  公开（公告）日：2007-11-01

  Compounds of Formula (I), are provided where T is CHO, COR 8 , or C(OH)R 1 R 2 ; R 1 and R 2 are hydrogen, optionally substituted lower alkyl, CF 3 , optionally substituted alkenyl, or optionally substituted alkynyl; R 3 is hydrogen or optionally substituted lower alkyl; R 4 is (CF 3 ) n alkyl, (CF 3 ) n (substitutedalkyl), (CF 3 ) n alkylphenyl, (CF 3 ) n alkyl(substitutedphenyl), or (F) n cycloalkyl; n=1-3; R 5 is hydrogen, halogen, CF 3 , diene fused to Y when Y═C, or substituted diene fused to Y when Y═C; W, Y and Z are C, CR 6 or N where at least one of W, Y or Z are C; R 6 is hydrogen, halogen, or optionally substituted lower alkyl; X is O, S, SO 2 , or NR 7 ; R 7 is hydrogen, optionally substituted lower alkyl, optionally substituted benzyl, or optionally substituted phenyl; and R 8 is lower alkyl, CF 3 , or optionally substituted phenyl. Methods of preparing and using these compounds for inhibiting beta amyloid production and for treatment of Alzheimer's Disease and Down's syndrome are also described.

  提供了式(I)的化合物，其中T为CHO，COR8或C(OH)R1R2；R1和R2为氢，可选取代的低烷基，CF3，可选取代的烯基或可选取代的炔基；R3为氢或可选取代的低烷基；R4为( )n烷基，( )n（取代烷基），( )n烷基苯基，( )n烷基（取代苯基）或(F)ncycloalkyl；n=1-3；R5为氢，卤素， ，当Y═C时，为融合到二烯基，或当Y═C时，为取代的融合二烯基；W，Y和Z为C，CR6或N，其中至少有一个为C；R6为氢，卤素或可选取代的低烷基；X为O，S，SO2或NR7；R7为氢，可选取代的低烷基，可选取代的苯甲基或可选取代的苯基；R8为低烷基， 或可选取代的苯基。还描述了制备和使用这些化合物来抑制β淀粉样蛋白的产生以及治疗阿尔茨海默病和唐氏综合症的方法。
• US7547725B2
  申请人：——

  公开号：US7547725B2

  公开（公告）日：2009-06-16
• US7858658B2
  申请人：——

  公开号：US7858658B2

  公开（公告）日：2010-12-28