4-Bromo-2'-[3-chloro-4-(2-methyl(thiobenzoyl))-phenylamino]butananilide | 321371-67-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Bromo-2'-[3-chloro-4-(2-methyl(thiobenzoyl))-phenylamino]butananilide
• 英文别名: 4-bromo-N-[2-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]phenyl]butanamide
• CAS: 321371-67-9
• 化学式: C₂₄H₂₂BrClN₂OS
• 分子量: 501.874
• InChiKey: XTPBOKPOSLTGCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA
  申请人：LEO PHARMACEUTICAL PRODUCTS LTD. A/S(LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB)

  公开号：EP1210320A1

  公开（公告）日：2002-06-05
• US6566554B1
  申请人：——

  公开号：US6566554B1

  公开（公告）日：2003-05-20
• [EN] AMINOBENZOPHENONES AS INHIBITORS OF IL-1 beta AND TNF- alpha<br/>[FR] AMINOBENZOPHENONES EN TANT QU'INHIBITEURS DE IL-1 beta ET TNF- alpha
  申请人：LEO PHARM PROD LTD

  公开号：WO2001005746A1

  公开（公告）日：2001-01-25

  The present invention relates to a compound of general formula (I) wherein R1, R2, and R3 represents one or more, same or different substituents selected from the group consisting of halogen, hydroxy, mercapto, trifluoromethyl, amino, (C1-C3)alkyl, (C2-C3)olefinic group, (C1-C3)alkoxy, (C1-C3)alkylthio, (C1-C6)alkylamino, (C1-C3)alkoxycarbonyl, cyano, -CONH2, phenyl, or nitro; further R2 can be hydrogen, and R3 can be carboxy and carbamoyl; R4 represents hydrogen, (C1-C3)alkyl, or allyl; X represents oxygen or sulphur; Q represents -(CO)-, -(CS)-, or a bond; Y represents (C5-C15)alkyl; (C2-C15)olefinic group; (C3-C10)monocyclic hydrocarbon group; or phenyl; any of which may be optionally substituted by one or more, same or different substituents selected from the group consisting of the formula R5 defined below; (C1-C4)alkyl substituted by one or more substituents selected for the group R5; or a group of the formula -(Z-O)n-Z, wherein Z is a (C1-C3)alkyl, n is an integer > 1; and no continuous linear sequence of atoms in the group Y exceeds 15; R5 represents halogen, hydroxy, mercapto, trifluoromethyl, amino, (C1-C3)alkoxy, (C1-C3)alkylthio, (C1-C6)alkylamino, (C1-C3)alkoxycarbonyl, cyano, azido, nitro, -COOH, -CONH2, -CONHR', or COONR'R' wherein R' represents (C1-C3)alkyl; or a pharmaceutically acceptable salt thereof, or a hydrate or solvate thereof. The compounds are valuable in the human and veterinary therapy.