3-(7-hydroxy-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one trifluoroacetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3-(7-hydroxy-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one trifluoroacetate
• 英文别名: 3-(7-Hydroxy-4-methyl-3,4-dihydro-2h-1,4-benzoxazin-6-yl)-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2h-indol-2-one trifluoroacetate salt；3-(7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one;2,2,2-trifluoroacetic acid
• 化学式: C₂HF₃O₂*C₂₃H₁₉F₃N₂O₄
• 分子量: 558.434
• InChiKey: SCEISWVAWKYQAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.14
• 重原子数：
  39
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  3-(7-hydroxy-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one trifluoroacetate 、 1-(diphenylmethyl)-3-(2-hydroxy-4-methoxy-5-methylphenyl)-1,3-dihydro-2H-indol-2-one 以1-methyl-1′-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-spiro[furo[3,2-g][1,4]benzoxazine-8,3′-indol]-2′(1′H)-one was obtained的产率得到1-methyl-1'-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-spiro[furo[3,2-g][1,4]benzoxazine-8,3'-indol]-2'(1'H)-one
  参考文献：
  名称：

  Spiro-oxindole compounds and their uses as therapeutic agents

  摘要：

  这项发明涉及螺环氧吲哚化合物，包括其立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂化合物或前药，用于治疗和/或预防钠通道介导的疾病或病症，如疼痛。

  公开号：

  US08415370B2
• 作为产物：
  描述：

  3-hydroxy-3-(7-hydroxy-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one 、 三氟乙酸 在 三乙基硅烷 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到3-(7-hydroxy-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,3-dihydro-2H-indol-2-one trifluoroacetate
  参考文献：
  名称：

  [EN] SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS
  [FR] COMPOSÉS SPIRO-OXINDOLE ET LEUR UTILISATION COMME AGENTS THÉRAPEUTIQUES

  摘要：

  公开号：

  WO2010045251A3

文献信息

• Spiro-oxindole compounds and their use as therapeutic agents
  申请人：Xenon Pharmaceuticals Inc.

  公开号：US08263606B2

  公开（公告）日：2012-09-11

  This invention is directed to spiro-oxindole compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment and/or prevention of sodium channel-mediated diseases or conditions, such as pain.

  本发明涉及螺环-氧吲哚化合物，包括其立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂化物或前药，用于治疗和/或预防钠通道介导的疾病或病状，如疼痛。
• SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS
  申请人：Chafeev Mikhail

  公开号：US20120295897A1

  公开（公告）日：2012-11-22

  This invention is directed to spiro-oxindole compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment and/or prevention of sodium channel-mediated diseases or conditions, such as pain.

  本发明涉及螺环氧吲哚化合物，包括立体异构体、对映体、互变异构体或其混合物；或其药学上可接受的盐、溶剂合物或前药，用于治疗和/或预防钠通道介导的疾病或病症，例如疼痛。
• Spiro-oxindole compounds and their uses as therapeutic agents
  申请人：Chafeev Mikhail

  公开号：US08415370B2

  公开（公告）日：2013-04-09

  This invention is directed to spiro-oxindole compounds, as stereoisomers, enantiomers, tautomers thereof or mixtures thereof; or pharmaceutically acceptable salts, solvates or prodrugs thereof, for the treatment and/or prevention of sodium channel-mediated diseases or conditions, such as pain.

  这项发明涉及螺环氧吲哚化合物，包括其立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂化合物或前药，用于治疗和/或预防钠通道介导的疾病或病症，如疼痛。
• US8263606B2
  申请人：——

  公开号：US8263606B2

  公开（公告）日：2012-09-11
• US8415370B2
  申请人：——

  公开号：US8415370B2

  公开（公告）日：2013-04-09