2-Chloro-3'-fluoro-4-(4-fluoro-2-methyl-phenylamino)-2'-methyl(thiobenzophenone) | 344458-61-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-Chloro-3'-fluoro-4-(4-fluoro-2-methyl-phenylamino)-2'-methyl(thiobenzophenone)
• 英文别名: [2-Chloro-4-(4-fluoro-2-methylanilino)phenyl]-(3-fluoro-2-methylphenyl)methanethione
• CAS: 344458-61-3
• 化学式: C₂₁H₁₆ClF₂NS
• 分子量: 387.881
• InChiKey: GRCWLCUDIJTHRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Aminobenzophenones as inhibitors of il 1b and tnf
  申请人：——

  公开号：US20030013770A1

  公开（公告）日：2003-01-16

  A compound of the general formula I 1 wherein R 1 represents a substituent selected from the group consisting of halogen, hydroxy, mercapto, trifluoromethyl, amino, (C 1 -C 3 )alkyl, (C 2 -C 3 )olefinic group, (C 1 -C 3 )alkoxy, (C 1 -C 3 )alkylthio, (C 1 -C 6 )alkylamino, (C 1 -C 3 )alkoxycarbonyl, cyano, —CONH 2 , phenyl, and nitro; R 2 represents one or more, same or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, amino, (C 1 -C 3 )alkyl, (C 2 -C 3 )olefinic group, (C 1 -C 3 )alkoxy, (C 1 -C 3 )alkylthio, (C 1 -C 6 )alkylamino, (C 1 -C 3 )alkoxycarbonyl, cyano, —CONH 2 , phenyl, and nitro; R 3 represents one or more, same or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, cyano, carboxy, carbamoyl, (C 1 -C 10 )alkyl, (C 2 -C 10 )olefinic group, (C 3 -C 8 )monocyclic hydrocarbon group, (C 1 -C 10 )alkoxy, (C 1 -C 10 )alkylthio, (C 1 -C 10 )alkoxycarbonyl, and phenyl; R 4 represents hydrogen, (C 1 -C 6 )alkyl, (C 2 -C 6 )olefinic group, or (C 3 -C 6 )monocyclic hydrocarbon group; R 5 represents one or more, same or different substituents selected from the group consisting of hydrogen and R 1 ; X represents oxygen, sulphur, or N—OH; and salts thereof with pharmaceutically acceptable acids, hydrates and solvates, may be used in the prophylaxis or treatment of inflammatory diseases.

  一种通式为I1的化合物，其中R1代表从卤素、羟基、巯基、三氟甲基、氨基、(C1-C3)烷基、(C2-C3)烯基、(C1-C3)烷氧基、(C1-C3)烷硫基、(C1-C6)烷基氨基、(C1-C3)烷氧羰基、氰基、-CONH2、苯基和硝基中选择的取代基；R2代表从氢、卤素、羟基、巯基、三氟甲基、氨基、(C1-C3)烷基、(C2-C3)烯基、(C1-C3)烷氧基、(C1-C3)烷硫基、(C1-C6)烷基氨基、(C1-C3)烷氧羰基、氰基、-CONH2、苯基和硝基中选择的一个或多个相同或不同的取代基；R3代表从氢、卤素、羟基、巯基、三氟甲基、氰基、羧基、氨基、(C1-C10)烷基、(C2-C10)烯基、(C3-C8)单环碳氢基团、(C1-C10)烷氧基、(C1-C10)烷硫基、(C1-C10)烷氧羰基和苯基中选择的一个或多个相同或不同的取代基；R4代表氢、(C1-C6)烷基、(C2-C6)烯基或(C3-C6)单环碳氢基团；R5代表从氢和R1中选择的一个或多个相同或不同的取代基；X代表氧、硫或N-OH；以及其与药学上可接受的酸盐、水合物和溶剂化合物，可用于预防或治疗炎症性疾病。
• 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：EP1237845A1

  公开（公告）日：2002-09-11
• ＩＬ−１βおよびＴＮＦ−αの抑制剤としてのアミノベンゾフェノン
  申请人：レオ ファーマ アクティーゼルスカブ

  公开号：JP4684515B2

  公开（公告）日：2011-05-18
• US6541670B2
  申请人：——

  公开号：US6541670B2

  公开（公告）日：2003-04-01
• [EN] AMINOBENZOPHENONES AS INHIBITORS OF IL-1 beta AND TNF- alpha<br/>[FR] AMINOBENZOPHENONES INHIBITEURS DE L'IL-1 beta ET DU TNF- alpha
  申请人：LEO PHARM PROD LTD

  公开号：WO2001042189A1

  公开（公告）日：2001-06-14

  A compound of general formula (I), wherein R1 represents a substituent 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, and nitro; R2 represents one or more, same or different substituents selected from the group consisting of hydrogen, 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, and nitro; R3 represents one or more, same or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, cyano, carboxy, carbamoyl, (C1-C10)alkyl, (C2-C10)olefinic group, (C3-C8)monocyclic hydrocarbon group, (C1-C10)alkoxy, (C1-C10) alkylthio, (C1-C10)alkoxycarbonyl, and phenyl; R4 represents hydrogen, (C1-C6)alkyl, (C2-C6)olefinic group, or (C3-C6)monocyclic hydrocarbon group; R5 represents one or more, same or different substituents selected from the group consisting of hydrogen and R1; X represents oxygen, sulphur, or N-OH; and salts thereof with pharmaceutically acceptable acids, hydrates and solvates, may be used in the prophylaxis or treatment of inflammatory diseases.