1-methyl-3-[2-[3-chloro-4-(2-methylbenzoyl)-phenylamino]phenyl]urea | 321438-16-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methyl-3-[2-[3-chloro-4-(2-methylbenzoyl)-phenylamino]phenyl]urea
• 英文别名: 1-[2-[3-Chloro-4-(2-methylbenzoyl)anilino]phenyl]-3-methylurea
• CAS: 321438-16-8
• 化学式: C₂₂H₂₀ClN₃O₂
• 分子量: 393.873
• InChiKey: PHNOSNXOJCVUQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  70.2
• 氢给体数：
  3
• 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：EP1210325A1

  公开（公告）日：2002-06-05
• US6750253B1
  申请人：——

  公开号：US6750253B1

  公开（公告）日：2004-06-15
• [EN] AMINOBENZOPHENONES AS INHIBITORS OF IL-1 beta AND TNF- alpha<br/>[FR] AMINOBENZOPHENONES, INHIITEURS DE L'INTERLEUKINE IL- beta ET DU FACTEUR TNF- alpha
  申请人：LEO PHARM PROD LTD

  公开号：WO2001005751A1

  公开（公告）日：2001-01-25

  The present invention relates to compounds of formula (I) wherein R1 and R2 independently represent 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, carbamoyl, phenyl, and nitro; R2 further being represented by hydrogen; R3 represents 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, phenyl, cyano, carboxy, or carbamoyl; R4 represents hydrogen, (C1-C3)alkyl or allyl; Q represents a bond, -SO2-, or -C(R6)(R7)(-O-C=O)-, in which formula R6 and R7 independently represent hydrogen, trifluoromethyl, or (C1-C4)alkyl; Y represents (C1-C15)alkyl, (C2-C15)olefinic group, (C3-C10)carbocyclic group, or phenyl, any of which is optionally substituted by one or more, same or different substituents represnet by the formula R5; or Y represents a group of formula -(Z-O)n-Z, where Z is a (C1-C3)alkyl, and n is an integer ⊃1, and no continuous linear sequence of atoms in the group Y exceeds 15; R5 represents halogen, hydroxy, mercapto, trifluoromethyl, (C1-C4)alkyl, amino, (C1-C3)alkoxy, (C1-C3)alkylthio, (C1-C6)alkylamino, (C1-C3)alkoxycarbonyl, cyano, azido, nitro, -COOH, -CONH2, -CONHR' or -CONRR' wherein R et R' stands for (C1-C3)alkyl; X represents oxygen or sulfur, or a pharmaceutically acceptable salt thereof, or a hydrate or solvate threof. The compounds are valuable in the human and veterinary therapy.