2-(4-氯苯氧基)-2-甲基-N-[5-[(甲基磺酰基)氨基]三环[3.3.1.13,7]癸-2-基]-丙酰胺 | 878489-28-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(4-氯苯氧基)-2-甲基-N-[5-[(甲基磺酰基)氨基]三环[3.3.1.13,7]癸-2-基]-丙酰胺
• 英文名称: 2-(4-chlorophenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide
• CAS: 878489-28-2
• 化学式: C₂₁H₂₉ClN₂O₄S
• 分子量: 441.0
• InChiKey: OSGIRCJRKSAODN-DJASPMHUSA-N

物化性质

• 密度：
  1.33±0.1 g/cm3(Predicted)
• 溶解度：
  DMSO：62.5 mg/mL（141.73 mM；需要超声波）

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

文献信息

• N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：EP1796657B1

  公开（公告）日：2009-12-23
• N-2 Adamantanyl-2-Phenoxy-Acetamide Derivatives as 11-Beta Hydroxysteroid Dehydrogenase Inhibitors
  申请人：Jaroskova Libuse

  公开号：US20080064693A1

  公开（公告）日：2008-03-13

  The N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n is 1, 2, 3, or 4; Z represents O, S, NR 6 , SO or SO 2 ; R 1 represent hydrogen, cyano, hydroxy, or C 1-4 alkyl optionally substituted with halo, R 2 represents hydrogen, C 1-4 alkyl, or C 1-4 alkyloxy-; R 3 represents hydrogen, C 1-4 alkyl, C 1-4 alkyloxy- or R 3 combined with R 2 form together a divalent radical selected from the group consisting of —O—CH 2 — (a), —NR 7 —CH 2 — (b), —(CR 8 R 9 ) m — (c) and —CR 10 ═ (d) wherein m represents 1 or 2 and R 7 , R 8 , R 9 and R 10 are each independently selected from hydrogen or C 1-4 alkyl; R 4 represents hydrogen, halo, hydroxy, cyano, amino, NR 11 R 12 , C 1-4 alkyloxy-optionally substituted with one or where possible two or three substituents selected from hydroxy and halo or R 4 represents C 1-4 alkyl optionally substituted with one or where possible two or three substituents selected from hydroxy and halo; R 5 represents hydrogen, halo, cyano, amino, phenyl, hydroxy, C 1-4 alkyloxycarbonyl, hydroxycarbonyl, NR 13 R 14 or C 1-4 alkyl substituted with one or more substituents selected from hydroxycarbonyl, phenyl, C 1-4 alkyloxy or NR 15 R 16 ; R 6 represents hydrogen; R 11 and R 12 each independently represent hydrogen, C 1-4 alkyl or C 1-4 alkylcarbonyl-; R 13 and R 14 each independently represent hydrogen, C 1-4 alkyl or C 1-4 alkylcarbonyl-; R 15 and R 16 each independently represent hydrogen, C 1-4 alkyl or C 1-4 alkylcarbonyl-; R 17 and R 18 each independently represent hydrogen, C 1-4 alkyl or C 1-4 alkylcarbonyl-.
• US8344181B2
  申请人：——

  公开号：US8344181B2

  公开（公告）日：2013-01-01