2-Hydroxy-2'-[3-chloro-4-(2-methylbenzoyl)-phenylamino]acetanilide | 321371-44-2

• 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: 2-Hydroxy-2'-[3-chloro-4-(2-methylbenzoyl)-phenylamino]acetanilide
• 英文别名: N-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]-2-hydroxyacetamide
• CAS: 321371-44-2
• 化学式: C₂₂H₁₉ClN₂O₃
• 分子量: 394.857
• InChiKey: KMUYOTUMXSXEDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  {2-chloro-4-[(2-aminophenyl)amino]phenyl}(2-methylphenyl)methanone 生成 2-Hydroxy-2'-[3-chloro-4-(2-methylbenzoyl)-phenylamino]acetanilide
  参考文献：
  名称：

  Aminobenzophenones as inhibitors of IL-1&bgr; and TNF-&agr;

  摘要：

  本发明涉及一般式（I）的化合物，其中R1、R2和R3代表自卤素、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、苯基或硝基等基团中选择的一个或多个相同或不同的取代基；此外，R2可以是氢，R3可以是羧基和氨基甲酰基；R4代表氢、（C1-C3）烷基或烯丙基；X代表氧或硫；Q代表—（CO）—、—（CS）—或键；Y代表（C5-C15）烷基、（C2-C15）烯基、（C3-C10）单环碳氢基团或苯基；其中任何一个可以选择地由下面定义的R5基团中的一个或多个相同或不同的取代基取代；（C1-C4）烷基由R5基团中选择的一个或多个取代基取代；或者一个式子—（Z—O）n—Z，其中Z是（C1-C3）烷基，n是大于1的整数；Y中的原子没有连续的线性序列超过15个；R5代表卤素、羟基、巯基、三氟甲基、氨基、（C1-C3）烷氧基、（C1-C3）烷硫基、（C1-C6）烷基氨基、（C1-C3）烷氧羰基、氰基、偶氮基、硝基、—COOH、—CONH2、—CONHR′或COONR′R′，其中R′代表（C1-C3）烷基；或其药学上可接受的盐，或其水合物或溶剂合物。这些化合物在人类和兽医治疗中具有价值。

  公开号：

  US06566554B1

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.
• Aminobenzophenones as inhibitors of IL-1&bgr; and TNF-&agr;
  申请人：Leo Pharmaceutical Products Ltd. a/s (Lovens Kemiske Fabrik Produktionsaktieselskab)

  公开号：US06566554B1

  公开（公告）日：2003-05-20

  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)akylthio, (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.

  本发明涉及一般式（I）的化合物，其中R1、R2和R3代表自卤素、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、苯基或硝基等基团中选择的一个或多个相同或不同的取代基；此外，R2可以是氢，R3可以是羧基和氨基甲酰基；R4代表氢、（C1-C3）烷基或烯丙基；X代表氧或硫；Q代表—（CO）—、—（CS）—或键；Y代表（C5-C15）烷基、（C2-C15）烯基、（C3-C10）单环碳氢基团或苯基；其中任何一个可以选择地由下面定义的R5基团中的一个或多个相同或不同的取代基取代；（C1-C4）烷基由R5基团中选择的一个或多个取代基取代；或者一个式子—（Z—O）n—Z，其中Z是（C1-C3）烷基，n是大于1的整数；Y中的原子没有连续的线性序列超过15个；R5代表卤素、羟基、巯基、三氟甲基、氨基、（C1-C3）烷氧基、（C1-C3）烷硫基、（C1-C6）烷基氨基、（C1-C3）烷氧羰基、氰基、偶氮基、硝基、—COOH、—CONH2、—CONHR′或COONR′R′，其中R′代表（C1-C3）烷基；或其药学上可接受的盐，或其水合物或溶剂合物。这些化合物在人类和兽医治疗中具有价值。