3-[(2-guanidinothiazol-4-yl)methylthio]propionamidoxime | 76823-88-6

• 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-[(2-guanidinothiazol-4-yl)methylthio]propionamidoxime
• 英文别名: 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-hydroxypropanimidamide
• CAS: 76823-88-6
• 化学式: C₈H₁₄N₆OS₂
• 分子量: 274.371
• InChiKey: GBNBIQDPFCZDCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  189
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-[[[2-[(氨基亚胺甲基)氨基]-4-噻唑基]甲基]硫基]丙酰胺 生成 3-[(2-guanidinothiazol-4-yl)methylthio]propionamidoxime
  参考文献：
  名称：

  XIRATA, YASUFUMI;YANAGISAVA, ISAO;ISII, JOSIO;TAKEHDA, MASAAKI

  摘要：

  DOI：

文献信息

• Guanidinothiazole compounds, and medical compositions containing them
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04362736A1

  公开（公告）日：1982-12-07

  Novel guanidinothiazole compounds of the general formula ##STR1## wherein R represents a hydrogen atom or a lower alkyl group, Y represents a sulfur atom or a methylene group, m and n each represents an integer of 1-3, A represents the group shown by ##STR2## (wherein R.sub.1 represents a hydrogen atom, a cyano group, a carbamoyl group, a ureido group, a hydroxyl group, a lower alkoxy group, a lower acyl group, an acylamino group, an arylsulfamoyl group, an aralkyl group or a carboxymethyl group, an arylsulfamoyl group, an aralkyl group or a carboxymethyl group, R.sub.2 represents a hydrogen atom, a lower alkyl group, a lower alkenyl group, a lower alkynyl group, a cyano group or a lower acyl group, and R.sub.3 represents a hydrogen atom, a lower alkyl group, a hydroxyl group or a sulfamoyl group), and the pharmacologically acceptable acid addition salts thereof; these compounds are useful as gastric acid secretion inhibitors.

  新型胍基噻唑化合物的一般公式为##STR1##其中R代表氢原子或较低的烷基基团，Y代表硫原子或亚甲基基团，m和n分别代表1-3的整数，A代表由##STR2##所示的基团（其中R.sub.1代表氢原子、氰基、氨基甲酰基、尿素基、羟基、较低的烷氧基、较低的酰基、酰胺基、芳基磺酰胺基、芳基烷基或羧甲基，R.sub.2代表氢原子、较低的烷基基团、较低的烯基基团、较低的炔基基团、氰基或较低的酰基，R.sub.3代表氢原子、较低的烷基基团、羟基或磺酰胺基），以及其药理学上可接受的酸盐；这些化合物可用作胃酸分泌抑制剂。
• HIRATA, YASUFUMI;YANAGISAWA, ISAO;ISHII, YOSHIO;TADEDA, MASAAKI
  作者：HIRATA, YASUFUMI、YANAGISAWA, ISAO、ISHII, YOSHIO、TADEDA, MASAAKI

  DOI：——

  日期：——
• JPS565469A
  申请人：——

  公开号：JPS565469A

  公开（公告）日：1981-01-20
• US4362736A
  申请人：——

  公开号：US4362736A

  公开（公告）日：1982-12-07
• [EN] FAMOTIDINE AND FAMOTIDINE ANALOGS FOR CORONA VIRUS TREATMENT<br/>[FR] FAMOTIDINE ET ANALOGUES DE LA FAMOTIDINE POUR LE TRAITEMENT DU CORONAVIRUS
  申请人：NANOPHARMACEUTICS INC

  公开号：WO2021183259A1

  公开（公告）日：2021-09-16

  In silico screening of currently approved drugs against coronavirus SARS-CoV-2, PLpro (papain-like protease) resulted in the identification of famotidine and related analogs as potential antiviral candidates. PLpro (papain-like protease), a coronaviral protease, is essential for coronaviral replication. Famotidine, a histamine H2 antagonist, and a series of analogs repeatedly docked in the Cysl 12/His273/Asp287 catalytic triad pocket scored among the highest of the FDA-approved and over-the-counter compounds tested. Currently available as oral and IV products, famotidine appears in preliminary in silico screens to be useful to block PLpro activity and may be a potential treatment in patients who have contracted COVID-19 disease (caused by 2019-nCoV / SARS-CoV-2 infection). Famotidine has a very attractive profile with proven safety, drug interaction, and therapeutic window profiles.