phenyl N-[2-[3-chloro-4-(2-methylbenzoyl)-phenylamino]phenyl]carbamate | 321358-96-7

• 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: phenyl N-[2-[3-chloro-4-(2-methylbenzoyl)-phenylamino]phenyl]carbamate
• 英文别名: phenyl N-[2-[3-chloro-4-(2-methylbenzoyl)phenylamino]phenyl]carbamate；phenyl N-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]carbamate
• CAS: 321358-96-7
• 化学式: C₂₇H₂₁ClN₂O₃
• 分子量: 456.928
• InChiKey: PUINBTOBPOTSJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氯甲酸苯酯 、 {2-chloro-4-[(2-aminophenyl)amino]phenyl}(2-methylphenyl)methanone 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 生成 phenyl N-[2-[3-chloro-4-(2-methylbenzoyl)-phenylamino]phenyl]carbamate
  参考文献：
  名称：

  AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA

  摘要：

  公开号：

  EP1202959B1

文献信息

• US6897236B1
  申请人：——

  公开号：US6897236B1

  公开（公告）日：2005-05-24
• [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：WO2001005749A1

  公开（公告）日：2001-01-25

  The present invention relates to compounds of formula (I) wherein R1, R2 and R3 independently represent 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, carbamoyl, or phenyl; R1 and R2 further represented by nitro and R3 by carboxy; R4 represents hydrogen, (C1-C3)alkyl, or allyl; Q represents a bond, or -C(R6)(R7)(-O-C=O)-, in which formula R6 and R7 independently represent hydrogen, trifluoromethyl, or (C1-C4)alkyl; Y represents either (C5-C15)alkyl, (C2-C15)olefinic group, (C3-C10)monocyclic hydrocarbon, or phenyl, any of which may be optionally substituted with one or more, same or different substituents represented by the formula R5; or (C1-C4)alkyl substituted with at least one or more substituents with the formula R5; or Y represents a group of formula -CH2-(Z-O)n-Z where Z is a (C1-C3)alkyl, where n is a integer > 1 and no continuous linear sequence of atoms in the group Y > 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' stands for (C1-C3)alkyl; X represents oxygen or sulphur, or a pharmaceutically acceptable salt thereof, or a hydrate or solvate thereof. The compounds are valuable in the human and veterinary therapy.
• AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA
  申请人：LEO PHARMA A/S

  公开号：EP1202959B1

  公开（公告）日：2004-09-29