3-bromo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid | 188240-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-bromo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid
• 英文别名: 3-bromo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid
• CAS: 188240-63-3
• 化学式: C₉H₉BrO₂S
• 分子量: 261.139
• InChiKey: GTEYDYFYADFBHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-bromo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid 在 N-甲基吗啉 、 palladium diacetate 、 2-氯-4,6-二甲氧基-1,3,5-三嗪 、 三乙胺 、 三(邻甲基苯基)磷 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 52.0h， 生成 dimethyl N-(3-{[2-(pivaloylamino)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-6-yl]ethynyl}-4,5,6,7-tetrahydrobenzo[c]thienoyl)-L-glutamate
  参考文献：
  名称：

  Replacement of the 1‘,4‘-Phenylene Region in 5,10-Dideaza-5,6,7,8-tetrahydrofolic Acid (DDATHF) by 4,5,6,7-Tetrahydrobenzo[c]thiophene and 4,5,6,7-Tetrahydroisobenzofuran Nuclei

  摘要：

  Two new analogs of DDATHF, in which the 1',4'-phenylene unit is replaced by 4,5,6,7-tetrahydrobenzo[c]thiophene and 4,5,6,7-tetrahydroisobenzofuran nuclei, have been prepared and evaluated for in vitro cytotoxicity, GARFT inhibition, and FPGS affinity as potential antitumor agents.

  DOI：

  10.1021/jo9619903
• 作为产物：
  描述：

  methyl 4,5,6,7-tetrahydrobenzothiophene-1-carboxylate 在 sodium hydroxide 、 benzyltrimethylazanium tribroman-2-uide 、 zinc(II) chloride 作用下， 以 溶剂黄146 为溶剂， 反应 11.0h， 生成 3-bromo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid
  参考文献：
  名称：

  Replacement of the 1‘,4‘-Phenylene Region in 5,10-Dideaza-5,6,7,8-tetrahydrofolic Acid (DDATHF) by 4,5,6,7-Tetrahydrobenzo[c]thiophene and 4,5,6,7-Tetrahydroisobenzofuran Nuclei

  摘要：

  Two new analogs of DDATHF, in which the 1',4'-phenylene unit is replaced by 4,5,6,7-tetrahydrobenzo[c]thiophene and 4,5,6,7-tetrahydroisobenzofuran nuclei, have been prepared and evaluated for in vitro cytotoxicity, GARFT inhibition, and FPGS affinity as potential antitumor agents.

  DOI：

  10.1021/jo9619903

文献信息

• THIOPHENE DERIVATIVES AS XANTHINE OXIDASE INHIBITORS AND APPLICATION THEREOF
  申请人：Dongbao Purple Star (Hangzhou) Biopharmaceutical Co., Ltd.

  公开号：EP4053114A1

  公开（公告）日：2022-09-07

  A class of xanthine oxidase (XO) inhibitors, and application thereof in the preparation of drugs for treating XO-related diseases. Specifically disclosed is a compound represented by formula (I) and a pharmaceutically acceptable salt thereof.

  一类黄嘌呤氧化酶（XO）抑制剂及其在制备治疗XO相关疾病的药物中的应用。 具体揭示了由式（I）表示的化合物及其药学上可接受的盐。
• [EN] THIOPHENE DERIVATIVES AS XANTHINE OXIDASE INHIBITORS AND APPLICATION THEREOF<br/>[FR] DÉRIVÉS DE THIOPHÈNE EN TANT QU'INHIBITEURS DE XANTHINE OXYDASE ET LEUR APPLICATION<br/>[ZH] 作为黄嘌呤氧化酶抑制剂的噻吩衍生物及其应用
  申请人：MEDSHINE DISCOVERY INC

  公开号：WO2021083319A1

  公开（公告）日：2021-05-06

  一类黄嘌呤氧化酶(XO)抑制剂，及其在制备治疗与黄嘌呤氧化酶相关疾病的药物中的应用，具体公开了式(Ⅰ)所示化合物及其药学上可接受的盐。
• [EN] URICOSURIC AGENT, SYNTHETIC METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF<br/>[FR] AGENT URICOSURIQUE, SON PROCÉDÉ DE SYNTHÈSE ET SON APPLICATION PHARMACEUTIQUE<br/>[ZH] 一种尿酸促排剂及其合成方法和其在医药上的应用
  申请人：MEDSHINE DISCOVERY INC

  公开号：WO2021083182A1

  公开（公告）日：2021-05-06

  一类作为尿酸盐转运体(URAT1)抑制剂的尿酸促泄剂的化合物，及其在制备治疗尿酸水平异常病症药物中的应用。具体涉及式(I)所示化合物及其药学上可接受的盐。
• Replacement of the 1‘,4‘-Phenylene Region in 5,10-Dideaza-5,6,7,8-tetrahydrofolic Acid (DDATHF) by 4,5,6,7-Tetrahydrobenzo[<i>c</i>]thiophene and 4,5,6,7-Tetrahydroisobenzofuran Nuclei
  作者：Edward C. Taylor、James E. Dowling

  DOI：10.1021/jo9619903

  日期：1997.3.1

  Two new analogs of DDATHF, in which the 1',4'-phenylene unit is replaced by 4,5,6,7-tetrahydrobenzo[c]thiophene and 4,5,6,7-tetrahydroisobenzofuran nuclei, have been prepared and evaluated for in vitro cytotoxicity, GARFT inhibition, and FPGS affinity as potential antitumor agents.