5-<(4-methoxyphenyl)thio>-1H-1,2,3-triazole-4-carboxylic acid | 81581-13-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-<(4-methoxyphenyl)thio>-1H-1,2,3-triazole-4-carboxylic acid
• 英文别名: 5-((4-methoxyphenyl)thio)-1H-1,2,3-triazole-4-carboxylic acid；5-[(4-Methoxyphenyl)sulfanyl]-2H-1,2,3-triazole-4-carboxylic acid；5-(4-methoxyphenyl)sulfanyl-2H-triazole-4-carboxylic acid
• CAS: 81581-13-7
• 化学式: C₁₀H₉N₃O₃S
• 分子量: 251.266
• InChiKey: VXKGRXWTKJXJRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-<(4-methoxyphenyl)thio>-1H-1,2,3-triazole-4-carboxylic acid 在 甲烷磺酸 、 phosphorus pentoxide 作用下， 反应 24.0h， 以9.5%的产率得到9-oxo-7-methoxy-1H,9H-benzothiopyrano<2,3-d>-1,2,3-triazole
  参考文献：
  名称：

  Studies on 1,2,3,-triazoles. 10. Synthesis and antiallergic properties of 9-oxo-1H,9H-benzothiopyrano[2,3-d]-1,2,3-triazoles and their S-oxides

  摘要：

  Selected derivatives of 9-oxo-1H,9H-benzothiopyrano[2,3-d]-1,2,3-triazole, a new heterocyclic ring system, and their S-oxides have been prepared and evaluated for antiallergic activity in the rat passive cutaneous anaphylaxis screen. Several of the compounds show intravenous potencies similar to or greater than that of disodium cromoglycate, the most potent being 6,7-dimethyl-9-oxo-1H,9H-benzothiopyrano[2,3-d]-1,2,3-triazole and its 4,4-dioxide.

  DOI：

  10.1021/jm00368a021
• 作为产物：
  描述：

  ethyl 5-((4-methoxyphenyl)thio)-1H-1,2,3-triazole-4-carboxylate 在 Alkaline 作用下， 以90%的产率得到5-<(4-methoxyphenyl)thio>-1H-1,2,3-triazole-4-carboxylic acid
  参考文献：
  名称：

  Buckle, Derek R.; Rockell, Caroline J.M., Journal of the Chemical Society. Perkin transactions I, 1982, p. 627 - 630

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DE MALADIES LIÉES À L'OXALATE
  申请人：OXALURX INC

  公开号：WO2019165159A1

  公开（公告）日：2019-08-29

  Disclosed herein are compounds and compositions for modulating glycolate oxidase, useful for treating oxalate-related diseases, such as hyperoxaluria, where modulating glycolate oxidase is expected to be therapeutic to a patent in need thereof. Methods of modulating glycolate oxidase activity in a human or animal subject is also provided.

  本文披露了用于调节甘醇酸氧化酶的化合物和组合物，用于治疗与草酸盐相关的疾病，如高草酸尿症，其中调节甘醇酸氧化酶预计对需要治疗的患者具有疗效。还提供了在人类或动物主体中调节甘醇酸氧化酶活性的方法。
• Compounds and methods for treating oxalate-related diseases
  申请人：OxaluRx, Inc.

  公开号：US11389456B2

  公开（公告）日：2022-07-19

  Disclosed herein are compounds and compositions for modulating glycolate oxidase, useful for treating oxalate-related diseases, such as hyperoxaluria, where modulating glycolate oxidase is expected to be therapeutic to a patent in need thereof. Methods of modulating glycolate oxidase activity in a human or animal subject is also provided.

  本文公开了用于调节乙醇酸氧化酶的化合物和组合物，可用于治疗草酸盐相关疾病，如高草酸尿症，其中调节乙醇酸氧化酶有望对有需要的专利起到治疗作用。还提供了调节人或动物体内乙醇酸氧化酶活性的方法。
• BUCKLE, D. R.;ROCKELL, C. J. M., J. CHEM. SOC. PERKIN TRANS., 1982, N 2, 627-630
  作者：BUCKLE, D. R.、ROCKELL, C. J. M.

  DOI：——

  日期：——
• COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES
  申请人：OxaluRx, Inc.

  公开号：US20200390778A1

  公开（公告）日：2020-12-17

  Disclosed herein are compounds and compositions for modulating glycolate oxidase, useful for treating oxalate-related diseases, such as hyperoxaluria, where modulating glycolate oxidase is expected to be therapeutic to a patent in need thereof. Methods of modulating glycolate oxidase activity in a human or animal subject is also provided.