ethyl 1-(3-cyano-4-methoxyphenyl)pyrazole-4-carboxylate | 206885-32-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 1-(3-cyano-4-methoxyphenyl)pyrazole-4-carboxylate
• CAS: 206885-32-7
• 化学式: C₁₄H₁₃N₃O₃
• 分子量: 271.276
• InChiKey: DKQLEGPIEXJQJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  77.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 1-(3-cyano-4-methoxyphenyl)pyrazole-4-carboxylate 在 三氯化铝 、 potassium carbonate 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(3-Cyano-4-ethoxycarbonylmethoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and structure–activity relationships of 1-Phenylpyrazoles as xanthine oxidase inhibitors

  摘要：

  A series of 1-phenylpyrazoles was evaluated for inhibitory activity against xanthine oxidase in vitro. Of the compounds prepared, 1-(3-cyano-4-neopentyloxyphenyl)pyrazole-4-carboxylic acid (Y-700) had the most potent enzyme inhibition and displayed longer-lasting hypouricemic action than did allopurinol in a rat model of hyperuricemia induced by the uricase inhibitor potassium oxonate. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00093-2
• 作为产物：
  描述：

  2-氰基-3-乙氧基丙烯酸乙酯 在 亚硝酸异戊酯 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 ethyl 1-(3-cyano-4-methoxyphenyl)pyrazole-4-carboxylate
  参考文献：
  名称：

  Synthesis and structure–activity relationships of 1-Phenylpyrazoles as xanthine oxidase inhibitors

  摘要：

  A series of 1-phenylpyrazoles was evaluated for inhibitory activity against xanthine oxidase in vitro. Of the compounds prepared, 1-(3-cyano-4-neopentyloxyphenyl)pyrazole-4-carboxylic acid (Y-700) had the most potent enzyme inhibition and displayed longer-lasting hypouricemic action than did allopurinol in a rat model of hyperuricemia induced by the uricase inhibitor potassium oxonate. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00093-2

文献信息

• 1-phenylpyrazole compounds and medicinal application thereof
  申请人：Yoshitomi Pharmaceutical Industries, ltd.

  公开号：US06015829A1

  公开（公告）日：2000-01-18

  1-Phenylpyrazole compounds of the formula (1): ##STR1## which is exemplified by 5-amino-1-(3-cyano-4-isobutoxyphenyl)pyrazole-4-carboxylic acid, an optical isomer thereof and a pharmaceutically acceptable salt thereof. These compounds have a xanthine oxidase inhibitory activity and are useful as therapeutic agents for diseases such as hyperuricacidemia and gout.

  公式（1）的1-苯基吡唑化合物：##STR1##例如5-氨基-1-(3-氰基-4-异丁氧基苯基)吡唑-4-羧酸及其光学异构体和药学上可接受的盐。这些化合物具有黄嘌呤氧化酶抑制活性，并且可用作治疗高尿酸血症和痛风等疾病的治疗剂。
• 1-PHENYLPYRAZOLE COMPOUNDS AND MEDICINAL APPLICATION THEREOF
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0936217A1

  公开（公告）日：1999-08-18

  1-Phenylpyrazole compounds of the formula (1): which is exemplified by 5-amino-1-(3-cyano-4-isobutoxyphenyl)pyrazole-4-carboxylic acid, an optical isomer thereof and a pharmaceutically acceptable salt thereof. These compounds have a xanthine oxidase inhibitory activity and are useful as therapeutic agents for diseases such as hyperuricacidemia and gout.

  式 (1) 的 1-苯基吡唑化合物： 例如：5-氨基-1-(3-氰基-4-异丁氧基苯基)吡唑-4-羧酸、其光学异构体及其药学上可接受的盐。这些化合物具有黄嘌呤氧化酶抑制活性，可作为高尿酸血症和痛风等疾病的治疗药物。
• US6015829A
  申请人：——

  公开号：US6015829A

  公开（公告）日：2000-01-18