3-(1,2,4-oxadiazol-3-yl)aniline | 96913-36-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(1,2,4-oxadiazol-3-yl)aniline
• CAS: 96913-36-9
• 化学式: C₈H₇N₃O
• mdl: MFCD13881233
• 分子量: 161.163
• InChiKey: CWRSPLSEUDCICE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  硫光气 、 3-(1,2,4-oxadiazol-3-yl)aniline 在 TEA 作用下， 以 四氢呋喃 为溶剂， 生成 3-(3-Isothiocyanato-phenyl)-[1,2,4]oxadiazole
  参考文献：
  名称：

  Antiparasitic agents. 6. Synthesis and anthelmintic activities of novel isothiocyanatophenyl-1,2,4-oxadiazoles

  摘要：

  The syntheses and anthelmintic activities of 31 3- and 5-(isothiocyanatophenyl)-1,2,4-oxadiazoles are reported. In the primary anthelmintic screen, 3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole (39) showed 100% nematocidal activity and 3-(2-furanyl)-5-(4-isothiocyanatophenyl)-1,2,4-oxadiazole (63), 3-(2-furanyl)-5-(2-chloro-4-isothiocyanatophenyl)-1,2,4-oxadiazole (64), and 3-(2-furanyl)-5-(4-chloro-3-isothiocyanatophenyl)-1,2,4-oxadiazole (66) showed 100% taeniacidal activity when administered orally to mice. The two most active members of this series, 39 and 63, were active against the gastrointestinal nematodes of sheep at 100 mg/kg. In addition, 39 was also found to be active against hookworms in dogs at a single, oral dose of 200 mg/kg.

  DOI：

  10.1021/jm00147a019

文献信息

• Parp inhibitors
  申请人：ICOS Corporation

  公开号：US20040087588A1

  公开（公告）日：2004-05-06

  The present invention provides compounds comprising a bicyclic aryl moiety, such as 2H-phthalazin-1-one or derivatives thereof, compositions comprising the same, and methods for producing and using the same. In particular, the present invention provides compounds of the formula: 1 or a pharmaceutically acceptable salt, a hydrate, a solvate, or a prodrug thereof; where Q 1 , Q 2 and Y are those defined herein.

  本发明提供了包含双环芳基基团的化合物，例如2H-萘嗪-1-酮或其衍生物，以及包含这些化合物的组合物，以及制备和使用这些化合物的方法。特别地，本发明提供了式1的化合物：1或其药学上可接受的盐、水合物、溶剂合物或前药；其中Q1、Q2和Y的定义如本文所述。
• EP0672037B1
  申请人：——

  公开号：EP0672037B1

  公开（公告）日：1998-07-08
• US5569654A
  申请人：——

  公开号：US5569654A

  公开（公告）日：1996-10-29
• US6924284B2
  申请人：——

  公开号：US6924284B2

  公开（公告）日：2005-08-02
• [EN] IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS D'ACSS2 À BASE DE DÉRIVÉ DE 3-OXYDE D'IMIDAZOLE ET LEURS MÉTHODES D'UTILISATION
  申请人：METABOMED LTD

  公开号：WO2021229571A1

  公开（公告）日：2021-11-18

  The present invention relates to novel ACSS2 inhibitors having activity as anti-cancer therapy, treatment of alcoholism, and viral infection (e.g., CMV), composition and methods of preparation thereof, and uses thereof for treating viral infection, alcoholism, alcoholic steatohepatitis (ASH), non-alcoholic steatohepatitis (NASH), obesity/weight gain, anxiety, depression, post-traumatic stress disorder, inflammatory/autoimmune conditions and cancer, including metastatic cancer, advanced cancer, and drug resistant cancer of various types.