2,3-二氢-2-氧代-6-苯并噻唑磺酰氯 | 62425-99-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 2,3-二氢-2-氧代-6-苯并噻唑磺酰氯
• 英文名称: 2-oxo-2,3-dihydrobenzo[d]thiazole-6-sulfonyl chloride
• 英文别名: 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride；2-oxo-3H-1,3-benzothiazole-6-sulfonyl chloride
• CAS: 62425-99-4
• 化学式: C₇H₄ClNO₃S₂
• mdl: MFCD03033469
• 分子量: 249.699
• InChiKey: XTLMRZGHSSZIIR-UHFFFAOYSA-N

物化性质

• 密度：
  1.696±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 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：
  96.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934200090

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  2-羟基苯并噻唑 在 氯磺酸 作用下， 以83%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

文献信息

• [EN] DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS<br/>[FR] DÉRIVÉS DE DIAZABICYCLO[4.3.1]DÉCANE POUR LE TRAITEMENT DE TROUBLES PSYCHIATRIQUES
  申请人：MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V

  公开号：WO2015110271A1

  公开（公告）日：2015-07-30

  The present invention relates to diazabicyclo[4.3.1 ]decane derivatives (I), pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said diazabicyclo[4.3.1]decane derivatives are specific inhibitors of the FK506 binding proteins (FKBP's) and can be used for prophylaxis and/or treatment of psychiatric disorders and neurodegenerative diseases, disorders and conditions.

  本发明涉及二氮杂双环[4.3.1]癸烷衍生物(I)，这些化合物的药用盐以及含有至少一种这些化合物的药用载体、赋形剂和/或稀释剂的药物组合物。所述的二氮杂双环[4.3.1]癸烷衍生物是FK506结合蛋白(FKBP)的特异性抑制剂，可用于预防和/或治疗精神障碍和神经退行性疾病、障碍和症状。
• DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS
  申请人：MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V.

  公开号：US20170002003A1

  公开（公告）日：2017-01-05

  The present invention relates to diazabicyclo[4.3.1]decane derivatives, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said diazabicyclo[4.3.1]decane derivatives can be used for prophylaxis and/or treatment of psychiatric disorders and neurodegenerative diseases, disorders and conditions.

  本发明涉及二氮杂双环[4.3.1]癸烷衍生物，这些化合物的药用盐以及含有至少一种这些化合物的药用载体、赋形剂和/或稀释剂的药物组合物。所述的二氮杂双环[4.3.1]癸烷衍生物可用于预防和/或治疗精神障碍和神经退行性疾病、障碍和症状。
• Bicyclic aza-amides for treatment of psychiatric disorders
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2690102A1

  公开（公告）日：2014-01-29

  The present invention relates to compounds of formula (I) having a bicyclic aza-amides scaffold, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said bicyclic aza-amides compounds can be used for prophylaxis and/or treatment of psychiatric disorders and neurodegenerative diseases, disorders and conditions.

  本发明涉及具有双环氮代酰胺骨架的化合物（I）的公式，这些化合物的药用盐以及含有至少一种这些化合物的药用载体、赋形剂和/或稀释剂的药物组合物。所述的双环氮代酰胺化合物可用于预防和/或治疗精神障碍和神经退行性疾病、障碍和病况。
• [EN] BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS<br/>[FR] AZA-AMIDES BICYCLIQUES UTILISÉS DANS LE TRAITEMENT DES TROUBLES PSYCHIATRIQUES
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2014015993A1

  公开（公告）日：2014-01-30

  The present invention relates to compounds of formula (I) having a bicyclic aza-amides scaffold, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said bicyclic aza- amides compounds can be used for prophylaxis and/or treatment of psychiatric disorders and neurodegenerative diseases, disorders and conditions.

  本发明涉及具有双环氮杂酰胺骨架的化合物（I）的公式，这些化合物的药用盐以及含有这些化合物之一的药用载体、赋形剂和/或稀释剂的药物组合物。所述的双环氮杂酰胺化合物可用于预防和/或治疗精神障碍和神经退行性疾病、障碍和症状。
• 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。