N-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxy-5-methylbenzamide

• 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-methylbenzamide
• 英文别名: N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methyl-benzamide；N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-methylbenzamide
• 化学式: C₁₆H₁₁F₆NO₂
• 分子量: 363.259
• InChiKey: JNBXTAVYSJHVOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 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：

  5-甲基水杨酸 、 间二(三氟甲基)苯胺 在 三氯化磷 作用下， 以 甲苯 为溶剂， 以11%的产率得到N-(3,5-bis(trifluoromethyl)phenyl)-2-hydroxy-5-methylbenzamide
  参考文献：
  名称：

  IMD-0354 的结构功能研究鉴定出高活性粘菌素佐剂。

  摘要：

  由多重耐药（MDR）细菌，特别是革兰氏阴性菌引起的感染是一个不断升级的全球健康威胁。临床医生常常被迫使用最后手段抗生素粘菌素。然而，粘菌素耐药性正变得越来越普遍，导致可能出现多重耐药革兰氏阴性菌感染没有治疗选择的情况。开发规避细菌耐药机制的佐剂是开发新抗生素的一种有前途的正交方法。我们最近披露，已知的 IKK-β 抑制剂 IMD-0354 可有效抑制几种革兰氏阴性菌株的粘菌素耐药性。在这项研究中，我们探索了 IMD-0354 支架与粘菌素耐药性抑制之间的构效关系 (SAR)，并鉴定了几种比母体对鲍曼不动杆菌和肺炎克雷伯菌高度粘菌素耐药菌株具有更有效活性的化合物。

  DOI：

  10.1002/cmdc.201900560

文献信息

• 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Korea Research Institute of Bioscience and Biotechnology

  公开号：US20140221411A1

  公开（公告）日：2014-08-07

  The present invention relates to a 2-hydroxyarylamide derivative or a pharmaceutically acceptable salt thereof, a preparation method thereof, and a pharmaceutical composition for preventing or treating cancer comprising the same as an active ingredient. The 2-hydroxyarylamide derivative prepared by the present invention is excellent in the inhibition of the activity of TMPRSS4 serine protease and the suppression of the infiltration of TMPRSS4-expressed cancer cells, and thus can be useful as a composition for preventing or treating cancer by inhibiting TMPRSS4 over-expressed in cancer cells, particularly, colorectal cancer, lung cancer, breast cancer, prostate cancer, ovarian cancer, pancreatic cancer, or stomach cancer cells.

  本发明涉及一种2-羟基芳酰胺衍生物或其药用可接受的盐，其制备方法，以及作为活性成分的预防或治疗癌症的药物组合物。本发明制备的2-羟基芳酰胺衍生物在抑制TMPRSS4丝氨酸蛋白酶的活性和抑制TMPRSS4表达的癌细胞浸润方面表现出色，因此可以作为一种通过抑制癌细胞中TMPRSS4过度表达的组合物，特别是结肠癌、肺癌、乳腺癌、前列腺癌、卵巢癌、胰腺癌或胃癌细胞的预防或治疗癌症的组合物。
• 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 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。
• Plasminogen Activator Inhibitor-1 Inhibitor
  申请人：Muto Susumu

  公开号：US20070276011A1

  公开（公告）日：2007-11-29

  A medicament having inhibitory activity against plasminogen activator inhibitor-1, which comprises as an active ingredient a compound represented by the following general formula (I) or a salt thereof: wherein R 1 and R 2 represents an aromatic group which may be substituted, W represents a group selected from the following connecting group W-1: (wherein a bond at the left end binds to the carbon atom and a bond at the right end binds to the nitrogen atom, X represents sulfur atom or NH, Y represents oxygen atom or sulfur atom, R 3 represents a hydrocarbon group, hydroxy group, or carboxy group), Z represents a single bond or a connecting group wherein a number of atoms in a main chain is 1 to 3.

  一种具有抑制纤溶酶原激活物抑制剂-1活性的药物，其包含以下通式（I）或其盐作为活性成分的化合物：其中R1和R2代表可以被取代的芳香基团，W代表以下连接基团之一：（其中左端的键结合到碳原子，右端的键结合到氮原子，X代表硫原子或NH，Y代表氧原子或硫原子，R3代表烃基团，羟基或羧基），Z代表单键或连接基团，其中主链中的原子数为1到3。
• Inflammatory cytokine release inhibitor
  申请人：Institute of Medicinal Molecular Design, Inc.

  公开号：US08097759B2

  公开（公告）日：2012-01-17

  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活化活性的药物，其包括以下一般公式(I)所代表的化合物或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。