6-甲氧基-1,2-苯并噻唑-3(2H)-酮1,1-二氧化物 | 62473-95-4

• 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: 6-甲氧基-1,2-苯并噻唑-3(2H)-酮1,1-二氧化物
• 英文名称: 6-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide
• 英文别名: 6-methoxy-1,1-dioxo-1λ⁶-benz[d]isothiazol-3-one；6-Methoxy-1,1-dioxo-1λ⁶-benz[d]isothiazol-3-on；6-methoxy-1,1-dioxo-1,2-dihydro-benzo[d]isothiazol-3-one；6-methoxy-1,1-dioxo-1,2-benzothiazol-3-one
• CAS: 62473-95-4
• 化学式: C₈H₇NO₄S
• 分子量: 213.214
• InChiKey: FGWXGHBHIOINCJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.505±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  6-甲氧基-1,2-苯并噻唑-3(2H)-酮1,1-二氧化物 在 甲醇 、 sodium hydroxide 、 sodium methylate 、 sodium hydride 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 32.5h， 生成 4-Hydroxy-7-methoxy-2-methyl-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[e][1,2]thiazine-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Effect of Structural Modification of Enol−Carboxamide-Type Nonsteroidal Antiinflammatory Drugs on COX-2/COX-1 Selectivity

  摘要：

  Meloxicam (5), an NSAID in the enol-carboxamide class, was developed on the basis of its antiinflammatory activity and relative safety in animal models. In subsequent screening in microsomal assays using human COX-1 and COX-2, we discovered that it possessed a selectivity profile for COX-2 superior to piroxicam and other marketed NSAIDs. We therefore embarked on a study of enol-carboxamide type compounds to determine if COX-2 selectivity and potency could be dramatically improved by structural modification. Substitution at the 6- and 7-positions of the 4-oxo-1,2-benzothiazine-3-carboxamide, alteration of the N-methyl substituent, and amide modification were all examined. In addition we explored several related systems including the isomeric 3-oxo-1,2-benzothiazine-4-carboxamides, thienothiazines, indolothiazines, benzothienothiazines, naphthothiazines, and 1,3- and 1,4-dioxoisoquinolines. While a few examples were found with greater potency in the COX-2 assay, no compound tested had a better COX-2/COX-1 selectivity profile than that of 5.

  DOI：

  10.1021/jm9607010

文献信息

• INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER
  申请人：Inventiva

  公开号：EP3632908A1

  公开（公告）日：2020-04-08

  The invention relates to compounds of formula (I): wherein R1; R2, R3, R4, R5 and are as defined in the description. The compounds of formula (I) are inhibitors of the YAP/TAZ-TEAD interaction and thus useful in the treatment of cancer.

  该发明涉及以下化合物的公式(I)：其中R1; R2, R3, R4, R5和如描述中定义的。公式(I)的化合物是YAP/TAZ-TEAD相互作用的抑制剂，因此在癌症治疗中有用。
• [EN] NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA<br/>[FR] NOUVEAUX COMPOSÉS INHIBITEURS DE L'INTERACTION YAP/TAZ-TEAD ET LEUR UTILISATION DANS LE TRAITEMENT DU MÉSOTHÉLIOME MALIN
  申请人：INVENTIVA

  公开号：WO2017064277A1

  公开（公告）日：2017-04-20

  The invention relates to compounds of formula (I) wherein R1, R2, R3, R4, R5 and R6 are as defined in the description. The compounds of formula (I) are inhibitors of the YAP/TAZ-TEAD interaction.

  该发明涉及公式（I）中的化合物，其中R1、R2、R3、R4、R5和R6如描述中所定义。公式（I）中的化合物是YAP/TAZ-TEAD相互作用的抑制剂。
• Novel benzothiazine and benzothiadiazine derivatives method for preparing same and pharmaceutical compositions containing same
  申请人：Cordi Alex

  公开号：US20050124606A1

  公开（公告）日：2005-06-09

  Compounds of formula (I): wherein: R 1 represents aryl or heteroaryl, R 2 represents hydrogen, halogen or hydroxy, A represents CR 4 R 5 or NR 4 , R 3 represents hydrogen, alkyl or cycloalkyl, R 4 represents hydrogen or alkyl, or A represents nitrogen and, together with adjacent —CHR 3 —, forms the ring wherein m represents 1, 2 or 3, R 5 represents hydrogen or halogen, their isomers and also their addition salts. Medicaments.

  式（I）的化合物：其中：R1代表芳基或杂环基，R2代表氢、卤素或羟基，A代表CR4R5或NR4，R3代表氢、烷基或环烷基，R4代表氢或烷基，或A代表氮，并与相邻的-CHR3-一起形成环，其中m代表1、2或3，R5代表氢或卤素，它们的异构体以及它们的盐。药物。
• Benzothiazine and benzothiadiazine compounds
  申请人：Cordi Alex

  公开号：US20050014744A1

  公开（公告）日：2005-01-20

  Compounds of formula (I): wherein: R 1 represents hydroxy or RCO—O—, R 2 represents hydrogen, halogen, hydroxy or R′CO—O, R, R′, which may be identical or different, represent linear or branched (C 1 -C 6 )alkyl optionally substituted by aryl, linear or branched (C 2 -C 6 )alkenyl optionally substituted by aryl, linear or branched (C 1 -C 6 )perhaloalkyl, (C 3 -C 7 )cycloalkyl, adamantyl, aryl or heteroaryl, R 3 represents hydrogen, linear or branched (C 1 -C 6 )alkyl or (C 3 -C 7 )cycloalkyl, A represents CR 4 R 5 or NR 4 , R 4 represents hydrogen or linear or branched (C 1 -C 6 )alkyl, their isomers and also their addition salts with a pharmaceutically acceptable acid or base. Medicaments.

  式(I)的化合物：其中：R1代表羟基或RCO—O—，R2代表氢、卤素、羟基或R′CO—O，R、R′可能相同也可能不同，代表线性或支链(C1-C6)烷基，可选择性地被芳基取代，线性或支链(C2-C6)烯基，可选择性地被芳基取代，线性或支链(C1-C6)全氟烷基，(C3-C7)环烷基，金刚烷基，芳基或杂芳基，R3代表氢、线性或支链(C1-C6)烷基或(C3-C7)环烷基，A代表CR4R5或NR4，R4代表氢或线性或支链(C1-C6)烷基，它们的异构体以及它们与药学上可接受的酸或碱形成的加合物。药物。
• [EN] SACCHARIN DERIVATIVES AS ORALLY ACTIVE ELASTASE INHIBITORS<br/>[FR] DERIVES DE SACCHARINE SERVANT D'INHIBITEURS D'ELASTASE ORALEMENT ACTIFS
  申请人：SANOFI SYNTHELABO

  公开号：WO2001044245A1

  公开（公告）日：2001-06-21

  Orally active compounds of general formula (I) wherein R1 is methyl, ethyl or 2-morpholino-ethyl group, R2 is piperidino, morpholino or 4-methyl-piperazinyl group, n is 2 or 3 and their salts, solvates and hydrates.

  通式（I）中口服活性化合物，其中R1为甲基、乙基或2-吗啡啶基乙基，R2为哌啶基、吗啡啶基或4-甲基哌嗪基，n为2或3及其盐、溶剂合物和水合物。