N-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxy-5-(2-phenylethen-1-yl)benzamide

• 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: N-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxy-5-(2-phenylethen-1-yl)benzamide
• 英文别名: N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-[(E)-2-phenylethenyl]benzamide
• 化学式: C₂₃H₁₅F₆NO₂
• 分子量: 451.368
• InChiKey: KNSRJZZWKVUDHK-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  苯乙烯 、 N-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxy-5-iodobenzamide 在 palladium diacetate 二异丙胺 、 三(邻甲基苯基)磷 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 8.0h， 以38.3%的产率得到N-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxy-5-(2-phenylethen-1-yl)benzamide
  参考文献：
  名称：

  EP1535609

  摘要：

  公开号：

文献信息

• O-substituted hydroxyaryl derivatives
  申请人：Muto Susumu

  公开号：US20060094718A1

  公开（公告）日：2006-05-04

  A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in a main chain is 2 to 5 (said connecting group may be substituted), “A” represents an acyl group which may be substituted, (provided that unsubstituted acetyl group and unsubstituted acryloyl group are excluded,) or a C 1 to C 6 alkyl group which may be substituted, or A may bind to connecting group X to form a cyclic structure which may be substituted, “E” represents an aryl group which may be substituted or a heteroaryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种药物具有抑制NF-κB激活活性，其包括以下通式(I)所表示的化合物或其药学上可接受的盐、水合物或溶剂化物作为活性成分，其中X表示主链中原子数为2至5的连接基（该连接基可以被取代），A表示可以被取代的酰基（不包括未取代的乙酰基和未取代的丙烯酰基）或者可以被取代的C1到C6烷基，或者A可以与连接基X结合形成可以被取代的环状结构，E表示可以被取代的芳基或者可以被取代的杂环基，环Z表示可以具有一个或多个取代基的芳基（除了由式—O-A所表示的基团外，A具有与上述定义相同的含义，由式—X-E所表示的基团，X和E具有与上述定义相同的含义）或者可以具有一个或多个取代基的杂环基（除了由式—O-A所表示的基团外，A具有与上述定义相同的含义，由式—X-E所表示的基团，X和E具有与上述定义相同的含义）。
• Inhibitors against the production and release of inflammatory cytokines
  申请人：——

  公开号：US20040259877A1

  公开（公告）日：2004-12-23

  A medicament having inhibitory activity against NF-&kgr;B activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: 1 wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-&kgr;B激活活性的药物，其包括以下通式（I）所表示的化合物或其药学上可接受的盐作为活性成分：1其中X表示连接基，A表示氢原子或乙酰基，E表示芳基或杂芳基，环X表示芳烃或杂芳烃。
• INFLAMMATORY CYTOKINE RELEASE INHIBITOR
  申请人：MUTO Susumu

  公开号：US20080318956A1

  公开（公告）日：2008-12-25

  A medicament having inhibitory activity against NF-κB activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-κB激活活性的药物，其包括以下通式（I）所表示的化合物或其药理学上可接受的盐作为活性成分：其中，X代表连接基，A代表氢原子或乙酰基，E代表芳基或杂芳基，环X代表芳环或杂芳环。
• O-SUBSTITUTED HYDROXYARYL DERIVATIVES
  申请人：Institute of Medicinal Molecular Design, Inc.

  公开号：EP1512397B1

  公开（公告）日：2014-10-08
• EP1510207
  申请人：——

  公开号：——

  公开（公告）日：——