(2-ethyl-6-hydroxybenzofuran-3-yl)(4-hydroxyphenyl)methanone | 15813-41-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-ethyl-6-hydroxybenzofuran-3-yl)(4-hydroxyphenyl)methanone
• 英文别名: (2-ethyl-6-hydroxy-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
• CAS: 15813-41-9
• 化学式: C₁₇H₁₄O₄
• 分子量: 282.296
• InChiKey: DWFUZQVYEKONJB-UHFFFAOYSA-N

物化性质

• 沸点：
  396.7±37.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-ethyl-6-methoxybenzofuran 在 二硫化碳 、 aluminum (III) chloride 、 乙硫醇 作用下， 以 二氯甲烷 为溶剂， 反应 7.5h， 生成 (2-乙基-6-羟基苯并呋喃-3-基)(4-甲氧基苯基)甲酮 、 (2-ethyl-6-hydroxybenzofuran-3-yl)(4-hydroxyphenyl)methanone
  参考文献：
  名称：

  [EN] DEVELOPING POTENT URATE TRANSPORTER INHIBITORS: COMPOUNDS DESIGNED FOR THEIR URICOSURIC ACTION
  [FR] DÉVELOPPEMENT DE PUISSANTS INHIBITEURS DES TRANSPORTEURS D'URATE : COMPOSÉS CONÇUS POUR LEUR ACTION URICOSURIQUE

  摘要：

  公开号：

  WO2012048058A3

文献信息

• Medicinal compositions containing 6-hydroxybenzbromarone or salts thereof
  申请人：Endou Hitoshi

  公开号：US20070185195A1

  公开（公告）日：2007-08-09

  [PROBLEMS] To provide highly safe therapeutic or preventive agents for hyperuricemia, more specifically uricosuric agents, which have potent uricosuric effect and do not cause grave hepatic disorder. [MEANS FOR SOLVING PROBLEMS] Medicinal compositions for the treatment or prevention of hyperuricemia or diseases caused by hyperuricemia, which contain 6-hydroxybenzbromarone or salts thereof, and pharmaceutically acceptable carriers; uricosuric agents, xanthine oxidase inhibitors, and inhibitors against the uptake of uric acid in kidney, which contain 6-hydroxybenzbromarone or salts thereof; and a process for the production of 6-hydroxybenzbromarone.

  【问题】提供高度安全的治疗或预防高尿酸血症的药物，更具体地说是具有强效尿酸排泄作用且不会引起严重肝功能障碍的尿酸排泄剂。 【解决问题的方法】含有6-羟基苯并溴隆或其盐以及药学上可接受的载体的用于治疗或预防高尿酸血症或由高尿酸血症引起的疾病的药物组合物；含有6-羟基苯并溴隆或其盐的尿酸排泄剂、黄嘌呤氧化酶抑制剂和抑制肾脏对尿酸吸收的抑制剂；以及生产6-羟基苯并溴隆的方法。
• DEVELOPING POTENT URATE TRANSPORTER INHIBITORS: COMPOUNDS DESIGNED FOR THEIR URICOSURIC ACTION
  申请人：Wempe Michael F.

  公开号：US20130225673A1

  公开（公告）日：2013-08-29

  A compound represented by the general Formula I: a pharmaceutically acceptable salt or ester thereof, a solvate thereof, a chelate thereof, a non-covalent complex thereof, a pro-drug thereof, a deuterated radio-labeled analog thereof, and mixtures of any of the foregoing, wherein: A-K are individually selected from carbon or nitrogen; X═—O, —NR 1 , or —S; R 1-11 are individually selected from the group consisting of —H, C 1 -C 6 alkyl, C 6 -C 14 aryl, substituted C 6 -C 14 aryl, C 1 -C 14 -alkoxy, halogen, hydroxyl, carboxy, cyano, C 1 -C 6 -alkanoyloxy, C 1 -C 6 -alkylthio, C 1 -C 6 -alkylsulfonyl, trifluoromethyl, hydroxy, C 2 -C 6 -alkoxycarbonyl, C 2 -C 6 -alkanoylamino, —O—R 12 , S—R 12 , —SO 2 —R 12 , —NHSO 2 R 12 and —NHCO 2 R 12 , wherein R 12 is phenyl, naphthyl, or phenyl or naphthly substituted with one to three groups selected from C 1 -C 6 -alkyl, C 6 -C 10 aryl, C 1 -C 6 -alkoxy and halogen, and C 4 -C 20 hydroxyheteroaryl wherein the heteroatoms are selected from the group consisting of sulfur, nitrogen, and oxygen.

  一种由通式I表示的化合物：其中，该化合物为药学上可接受的盐或酯、溶剂化物、螯合物、非共价复合物、前药、氘标记的放射性类似物或任何上述物质的混合物，其中：A-K分别选择自碳或氮；X═—O、—NR1或—S；R1-11分别选择自—H、C1-C6烷基、C6-C14芳基、取代的C6-C14芳基、C1-C14烷氧基、卤素、羟基、羧基、氰基、C1-C6-烷酰氧基、C1-C6-烷基硫基、C1-C6-烷基磺酰基、三氟甲基、羟基、C2-C6-烷氧羰基、C2-C6-烷酰胺基、—O—R12、S—R12、—SO2—R12、—NHSO2R12和—NHCO2R12，其中R12为苯基、萘基或苯基或萘基，且其上选择了一到三个来自C1-C6烷基、C6-C10芳基、C1-C6烷氧基和卤素的基团以及C4-C20羟基杂芳基，其中杂原子选择自硫、氮和氧。
• MEDICINAL COMPOSITIONS CONTAINING 6-HYDROXYBENZBROMARONE OR SALTS THEREOF
  申请人：TORII PHARMACEUTICAL CO., LTD.

  公开号：EP1767531A1

  公开（公告）日：2007-03-28

  [PROBLEMS] To provide highly safe therapeutic or preventive agents for hyperuricemia, more specifically uricosuric agents, which have potent uricosuric effect and do not cause grave hepatic disorder. [MEANS FOR SOLVING PROBLEMS] Medicinal compositions for the treatment or prevention of hyperuricemia or diseases caused by hyperuricemia, which contain 6-hydroxybenzbromarone or salts thereof, and pharmaceutically acceptable carriers; uricosuric agents, xanthine oxidase inhibitors, and inhibitors against the uptake of uric acid in kidney, which contain 6-hydroxybenzbromarone or salts thereof; and a process for the production of 6-hydroxybenzbromarone.

  [问题] 提供高度安全的治疗或预防高尿酸血症的药物，更具体地说是尿酸盐药物，它们 具有强效的尿酸盐作用，并且不会引起严重的肝功能紊乱。[解决问题的方法] 用于治疗或预防高尿酸血症或由高尿酸血症引起的疾病的药用组合物，其中含有 6-羟基苯溴马隆或其盐类，以及药学上可接受的载体；含 6-羟基苯溴马隆或其盐类的尿尿剂、黄嘌呤氧化酶抑制剂和肾脏吸收尿酸抑制剂；以及 6-羟基苯溴马隆的生产工艺。
• Developing potent urate transporter inhibitors: compounds designed for their uricosuric action
  申请人：Wempe Michael F.

  公开号：US10005750B2

  公开（公告）日：2018-06-26

  A compound represented by the general Formula I: a pharmaceutically acceptable salt or ester thereof, a solvate thereof, a chelate thereof, a non-covalent complex thereof, a pro-drug thereof, a deuterated radio-labeled analog thereof, and mixtures of any of the foregoing, wherein: A-K are individually selected from carbon or nitrogen; X═—O, —NR1, or —S; R1-11 are individually selected from the group consisting of —H, C1-C6 alkyl, C6-C14 aryl, substituted C6-C14 aryl, C1-C14-alkoxy, halogen, hydroxyl, carboxy, cyano, C1-C6-alkanoyloxy, C1-C6-alkylthio, C1-C6-alkylsulfonyl, trifluoromethyl, hydroxy, C2-C6-alkoxycarbonyl, C2-C6-alkanoylamino, —O—R12, S—R12, —SO2—R12, —NHSO2R12 and —NHCO2R12, wherein R12 is phenyl, naphthyl, or phenyl or naphthly substituted with one to three groups selected from C1-C6-alkyl, C6-C10 aryl, C1-C6-alkoxy and halogen, and C4-C20 hydroxyheteroaryl wherein the heteroatoms are selected from the group consisting of sulfur, nitrogen, and oxygen.

  通式 I 所代表的化合物： 其药学上可接受的盐或酯、其溶液、其螯合物、其非共价络合物、其原药、其氚化放射性标记类似物，以及上述任何物质的混合物，其中：A-K分别选自碳或氮； X═-O、-NR1 或 -S；R1-11各自选自由-H、C1-C6-烷基、C6-C14-芳基、取代的C6-C14-芳基、C1-C14-烷氧基、卤素、羟基、羧基、氰基、C1-C6-烷酰氧基、C1-C6-烷硫基、C1-C6-烷磺酰基、三氟甲基、羟基、C2-C6-烷氧羰基、C2-C6-烷酰氨基、-O-R12、S-R12、-SO2-R12、-NHSO2R12 和 -NHCO2R12，其中 R12 是苯基、萘基或被一至三个选自 C1-C6-烷基、C6-C10 芳基、C1-C6-烷氧基和卤素的基团取代的苯基或萘基，以及 C4-C20 羟基杂芳基，其中杂原子选自由硫、氮和氧组成的组。
• [EN] DEVELOPING POTENT URATE TRANSPORTER INHIBITORS: COMPOUNDS DESIGNED FOR THEIR URICOSURIC ACTION<br/>[FR] DÉVELOPPEMENT DE PUISSANTS INHIBITEURS DES TRANSPORTEURS D'URATE : COMPOSÉS CONÇUS POUR LEUR ACTION URICOSURIQUE
  申请人：PHARMA CO LTD J

  公开号：WO2012048058A3

  公开（公告）日：2012-05-31