2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid
• 英文别名: 2-oxo-3H-1,3-benzothiazole-6-sulfonic acid
• 化学式: C₇H₅NO₄S₂
• 分子量: 231.253
• InChiKey: ZSPDJLKUEUXBSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid 在 氯磺酸 作用下， 以96%的产率得到2,3-二氢-2-氧代-6-苯并噻唑磺酰氯
  参考文献：
  名称：

  Benzazoles: III. Synthesis and Transformations of 6-(Chlorosulfonyl)-1,3-benzothiazol-2(3H)-ones

  摘要：

  Treatment of 1,3-benzothiazol-2(3H)-one and its 3-methyl derivative with chlorosulfonic acid afforded the corresponding 2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chlorides which reacted with water, alcohols, and amines to give 2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonic acids and their esters and amides.

  DOI：

  10.1134/s1070428020090031
• 作为产物：
  描述：

  2,3-二氢-2-氧代-6-苯并噻唑磺酰氯 在 水 作用下， 反应 2.0h， 以91%的产率得到2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonic acid
  参考文献：
  名称：

  Benzazoles: III. Synthesis and Transformations of 6-(Chlorosulfonyl)-1,3-benzothiazol-2(3H)-ones

  摘要：

  Treatment of 1,3-benzothiazol-2(3H)-one and its 3-methyl derivative with chlorosulfonic acid afforded the corresponding 2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chlorides which reacted with water, alcohols, and amines to give 2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonic acids and their esters and amides.

  DOI：

  10.1134/s1070428020090031

文献信息

• BENZENESULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T))
  申请人：GALDERMA RESEARCH & DEVELOPMENT

  公开号：US20180170869A1

  公开（公告）日：2018-06-21

  Benzenesulfonamide derivatives of formula (I), the pharmaceutically acceptable addition salts thereof, the hydrates and/or solvates thereof, and the use of same as inverse agonist of retinoid-related orphan receptor gamma (RORγt) are described. A pharmaceutical composition including such compounds, as well as the use thereof for the topical and/or oral treatment of RORγt receptor-medicated inflammatory diseases, in particular acne, psoriasis and/or atopic dermatitis are also described.

  本文描述了式(I)的苯磺酰胺衍生物，以及其药学上可接受的加合物盐、水合物和/或溶剂合物，并将其用作视黄醇相关孤儿受体γ（RORγt）的逆拮抗剂。还描述了包含这些化合物的药物组合物，以及将其用于局部和/或口服治疗RORγt受体介导的炎症性疾病，特别是痤疮、银屑病和/或特应性皮炎。
• Sulfonamide substituted pyrazoline compounds, their preparation and use as CB1 modulators
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP1911747A1

  公开（公告）日：2008-04-16

  The present invention relates to substituted pyrazoline compounds, methods for their preparation, medicaments comprising these compounds as well as their use for the preparation of a medicament for the treatment of humans and animals.

  本发明涉及取代吡唑啉化合物、其制备方法、包含这些化合物的药物以及它们用于制备用于治疗人类和动物的药物的用途。
• SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS
  申请人：Mas Prio Josep

  公开号：US20090209528A1

  公开（公告）日：2009-08-20

  The present invention relates to substituted tetrahydroisoquinoline compounds of general formula (I), a process for their preparation, medicaments comprising said substituted tetrahydroisoquinoline compounds as well as the use of said substituted tetrahydroisoquinoline compounds for the preparation of medicaments, which are particularly suitable for the prophylaxis and/or treatment of disorders or diseases that are at least partially mediated via 5-HT 6 receptors.

  本发明涉及一般式(I)的取代四氢异喹啉化合物，其制备方法，包含所述取代四氢异喹啉化合物的药物以及利用所述取代四氢异喹啉化合物制备药物，特别适用于预防和/或治疗至少部分通过5-HT6受体介导的疾病或疾病的用途。
• Benzenesulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (RORγ(T))
  申请人：GALDERMA RESEARCH & DEVELOPMENT

  公开号：US10457637B2

  公开（公告）日：2019-10-29

  Benzenesulfonamide derivatives of formula (I), the pharmaceutically acceptable addition salts thereof, the hydrates and/or solvates thereof, and the use of same as inverse agonist of retinoid-related orphan receptor gamma (RORγt) are described. A pharmaceutical composition including such compounds, as well as the use thereof for the topical and/or oral treatment of RORγt receptor-medicated inflammatory diseases, in particular acne, psoriasis and/or atopic dermatitis are also described.

  本发明描述了式(I)的苯磺酰胺衍生物、其药学上可接受的加成盐、其水合物和/或溶解物，以及其作为维甲酸相关孤儿受体γ（RORγt）的逆激动剂的用途。此外，还描述了一种包括此类化合物的药物组合物，以及将其用于局部和/或口服治疗 RORγt 受体引起的炎症性疾病，特别是痤疮、牛皮癣和/或特应性皮炎的方法。
• SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP2007729A1

  公开（公告）日：2008-12-31