(2-acetoxybenzoyl)-N-[3,5-bis(trifluoromethyl)phenyl]amine | 439144-60-2

• 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-acetoxybenzoyl)-N-[3,5-bis(trifluoromethyl)phenyl]amine
• 英文别名: 2-(3,5-bis(trifluoromethyl)phenylcarbamoyl)phenyl acetate；2-acetoxy-N-[3,5-bis(trifluoromethyl)phenyl]benzamide；2-acetoxy-N-[3,5-bis(trifluoromethyl)]benzamide；[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]phenyl] Acetate
• CAS: 439144-60-2
• 化学式: C₁₇H₁₁F₆NO₃
• 分子量: 391.27
• InChiKey: GBDHTLWNMFSKLA-UHFFFAOYSA-N

物化性质

• 熔点：
  118-125 °C
• 沸点：
  327.2±42.0 °C(Predicted)
• 密度：
  1.433±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (2-acetoxybenzoyl)-N-[3,5-bis(trifluoromethyl)phenyl]amine 在 sodium hydroxide 、 水 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以45.1%的产率得到N-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxybenzamide
  参考文献：
  名称：

  EP1535609

  摘要：

  公开号：
• 作为产物：
  描述：

  2-(3-(trifluoromethyl)phenylcarbamoyl)phenyl acetate 在 DIPEA 作用下， 生成 (2-acetoxybenzoyl)-N-[3,5-bis(trifluoromethyl)phenyl]amine
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES

  摘要：

  描述了一类新的水杨酰苯胺类化合物。这些化合物对肝炎病毒表现出强大的活性。

  公开号：

  US20120108592A1
• 作为试剂：
  描述：

  2-(3-(trifluoromethyl)phenylcarbamoyl)phenyl acetate 、 N,N-二异丙基乙胺 在 (2-acetoxybenzoyl)-N-[3,5-bis(trifluoromethyl)phenyl]amine 、 crude product 、 hexanes EtOAc 作用下， 反应 21.0h， 以to give 34 (266 mg, 29%) as a colorless crystalline solid的产率得到(2-acetoxybenzoyl)-N-[3,5-bis(trifluoromethyl)phenyl]amine
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES

  摘要：

  描述了一种新型萨利基苯胺类化合物。这些化合物对肝炎病毒表现出强烈的活性。

  公开号：

  US20120108592A1

文献信息

• INFLAMMATORY CYTOKINE RELEASE INHIBITOR
  申请人：MUTO Susumu

  公开号：US20090192122A2

  公开（公告）日：2009-07-30

  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代表芳烃或杂芳烃。
• Inhibitors against the activation of ap-1 and nfat
  申请人：Muto Susumu

  公开号：US20060100257A1

  公开（公告）日：2006-05-11

  A medicament inhibiting the activation of AP-1 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 the main chain is 2 to 5 (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl 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，抑制AP-1的激活，其活性成分为以下通式（I）所表示的化合物或其药学上可接受的盐、水合物或溶剂化物中所选的一种，其中X代表连接基，其主链中的原子数为2至5（该连接基可以被取代），A代表氢原子或乙酰基，E代表芳基或取代的杂芳基，环Z代表芳烃，除了由式—O-A所表示的基团外，可能还有一个或多个取代基，其中A具有上述定义的相同含义，由式—X-E所表示的基团中，X和E的每一个具有上述定义的相同含义，或者是一个杂芳烃，可能还有一个或多个取代基，其中A具有上述定义的相同含义，由式—X-E所表示的基团中，X和E的每一个具有上述定义的相同含义。
• Antiallergic
  申请人：Muto Susumu

  公开号：US20060122243A1

  公开（公告）日：2006-06-08

  A medicament for the preventive and/or therapeutic treatment of allergic diseases and/or endometriosis and/or hysteromyoma 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 the main chain is 2 to 5 (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl 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.

  一种用于预防和/或治疗过敏性疾病和/或子宫内膜异位症和/或子宫肌瘤的药物，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、水合物和溶剂化物作为活性成分，其中X代表主链中原子数为2到5的连接基（该连接基可以被取代），A代表氢原子或乙酰基，E代表可以被取代的芳基或杂环芳基，环Z代表可以具有一个或多个取代基的芳烃，除了由公式-O-A所表示的基团外，该芳烃还可以具有公式—X-E所表示的基团，其中每个X和E具有上述定义的相同含义，或者该环可以具有一个或多个取代基，除了由公式—O-A所表示的基团外，该环还可以具有公式—X-E所表示的基团，其中A具有上述定义的相同含义，X和E分别具有上述定义的相同含义。
• 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。
• Medicament for treatment of cancer
  申请人：Muto Susumu

  公开号：US20060014811A1

  公开（公告）日：2006-01-19

  A medicament for the prevention and/or treatment of cancers and the like 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 A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, circle around (2)} unsubstituted thiazol-2-yl group, or circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, 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 —CONH-E wherein 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 —CONH-E wherein E has the same meaning as that defined above.

  预防和/或治疗癌症及类似疾病的药物，其活性成分为以下通式（I）所代表的化合物中所选的一种或其药学上可接受的盐，以及其水合物和溶剂化物：其中A代表氢原子或乙酰基，E代表2,5-二取代或3,5-二取代苯基，或单环或融合的多环杂环芳基，可以被取代，但其中异杂环基团为circle around (1)}在公式（I）中直接结合—CONH—基团的环为苯环的融合多环杂环芳基，circle around (2)}未取代的噻唑-2-基团，或circle around (3)}未取代的苯并噻唑-2-基团被排除，环Z代表一个芳烃，除了由公式—O-A所代表的基团和由公式—CONH-E所代表的基团以外，它可以有一个或多个取代基，其中A具有上述定义的相同含义，E具有上述定义的相同含义，或者它可以是一个具有上述定义的相同含义的杂芳烃，它可以有一个或多个取代基。