N-[3-(2,3-dioxo-2,3,7,8,9,10-hexahydro-1H-benzo[f]quinoxalin-4-yl)phenyl]-2-thiophenesulfonamide | 1356863-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-[3-(2,3-dioxo-2,3,7,8,9,10-hexahydro-1H-benzo[f]quinoxalin-4-yl)phenyl]-2-thiophenesulfonamide
• 英文别名: N-[3-(2,3-dioxo-7,8,9,10-tetrahydro-1H-benzo[f]quinoxalin-4-yl)phenyl]thiophene-2-sulfonamide
• CAS: 1356863-25-6
• 化学式: C₂₂H₁₉N₃O₄S₂
• 分子量: 453.543
• InChiKey: KTRZZKAYYXBDSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(3-aminophenyl)-1,4,7,8,9,10-hexahydrobenzo[f]quinoxaline-2,3-dione 、 2-噻吩磺酰氯 以to give the titled compound (a white crystal, 9 mg, yield 20%)的产率得到N-[3-(2,3-dioxo-2,3,7,8,9,10-hexahydro-1H-benzo[f]quinoxalin-4-yl)phenyl]-2-thiophenesulfonamide
  参考文献：
  名称：

  P 2×4 receptor antagonist

  摘要：

  具有以下化学式（II）或其药学上可接受的盐的化合物被用作P2X4受体拮抗剂：其中，R11和R12中的每一个是氢，C1-8烷基或类似物；R13是氢，C1-8烷基或类似物；R14是氢，C1-8烷基，C1-8烷氧基，C1-8烷基有1-3个卤素，C1-8羟基烷基，卤素，羟基，硝基，氰基，氨基，C1-8烷基氨基，苯磺酰氨基（可选取代基），杂环基（可选取代基）或类似物；并且由W1和相邻苯环组成的缩合环是萘，四氢萘或茚环。

  公开号：

  US08673915B2

文献信息

• P 2 X 4 RECEPTOR ANTAGONIST
  申请人：Ushioda Masatoshi

  公开号：US20130178625A1

  公开（公告）日：2013-07-11

  A compound having the following formula (II) or a pharmacologically acceptable salt thereof is used as a P2X 4 receptor antagonist: wherein each of R 11 and R 12 is hydrogen, C 1-8 alkyl or the like; R 13 is hydrogen, C 1-8 alkyl or the like; R 14 is hydrogen, C 1-8 alkyl, C 1-8 alkoxy, C 1-8 alkyl having 1-3 halogens, C 1-8 hydroxyalkyl, halogen, hydroxyl, nitro, cyano, amino, C 1-8 alkylamino, benzenesulfonylamino optionally having a substituent, a heterocyclic group optionally having a substituent or the like; and the condensed ring consisting of W 1 and the neighboring benzene ring is naphthalene, tetrahydronaphthalene, or indan ring.

  具有以下式子（II）或其药理学上可接受的盐的化合物可用作P2X4受体拮抗剂： 其中，R11和R12中的每一个都是氢，C1-8烷基或类似物； R13是氢，C1-8烷基或类似物； R14是氢，C1-8烷基，C1-8烷氧基，具有1-3个卤素的C1-8烷基，C1-8羟基烷基，卤素，羟基，硝基，氰基，氨基，C1-8烷基氨基，苯磺酰氨基（可选取代基），杂环基（可选取代基）或类似物；并且由W1和相邻苯环组成的缩环是萘、四氢萘或茚环。
• P2X4 RECEPTOR ANTAGONIST
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP2631229A1

  公开（公告）日：2013-08-28

  A compound having the following formula (II) or a pharmacologically acceptable salt thereof is used as a P2X4 receptor antagonist: wherein each of R11 and R12 is hydrogen, C1-8 alkyl or the like; R13 is hydrogen, C1-8 alkyl or the like; R14 is hydrogen, C1-8 alkyl, C1-8 alkoxy, C1-8 alkyl having 1-3 halogens, C1-8 hydroxyalkyl, halogen, hydroxyl, nitro, cyano, amino, C1-8 alkylamino, benzenesulfonylamino optionally having a substituent, a heterocyclic group optionally having a substituent or the like; and the condensed ring consisting of W1 and the neighboring benzene ring is naphthalene, tetrahydronaphthalene, or indan ring.

  具有下式（II）的化合物或其药理上可接受的盐可用作 P2X4 受体拮抗剂： 其中 R11 和 R12 均为氢、C1-8 烷基或类似物； R13 是氢、C1-8 烷基或类似物 R14 是氢、C1-8 烷基、C1-8 烷氧基、具有 1-3 个卤素的 C1-8 烷基、C1-8 羟基烷基、卤素、羟基、硝基、氰基、氨基、C1-8 烷基氨基、任选具有取代基的苯磺酰氨基、任选具有取代基的杂环基团或类似物；以及 由 W1 和邻近苯环组成的缩合环是萘环、四氢萘环或茚环。
• DRUG FOR TREATING COUGH
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3766497A1

  公开（公告）日：2021-01-20

  The present invention pertains to a medicament for preventing or treating cough, including, as an active ingredient, a compound having P2X4 receptor antagonistic action, a tautomer, stereoisomer, or pharmaceutically acceptable salt of the compound, or a hydrate or solvate thereof.

  本发明涉及一种预防或治疗咳嗽的药物，其活性成分包括具有 P2X4 受体拮抗作用的化合物、该化合物的同分异构体、立体异构体或药学上可接受的盐，或其水合物或溶液。
• MEDICAMENT FOR TREATING COUGH
  申请人：NIPPON CHEMIPHAR CO., LTD.

  公开号：US20210000840A1

  公开（公告）日：2021-01-07

  The present invention pertains to a medicament for preventing or treating cough, including, as an active ingredient, a compound having P2X4 receptor antagonistic action, a tautomer, stereoisomer, or pharmaceutically acceptable salt of the compound, or a hydrate or solvate thereof.
• MEDICAMENT FOR TREATMENT OF MULTIPLE SCLEROSIS
  申请人：NIPPON CHEMIPHAR CO., LTD.

  公开号：US20210121478A1

  公开（公告）日：2021-04-29

  A medicament for preventive and/or therapeutic treatment of multiple sclerosis, especially a pain accompanying multiple sclerosis such as neuropathic pain, which contains a compound having a P2X4 receptor antagonist activity such as a compound represented by the general formula (IH), or a salt thereof, or a hydrate or solvate thereof as an active ingredient.