3-(4-chloro-phenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1λ⁶-benzo[1,4]thiazine-2-carbonitrile | 39889-31-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 3-(4-chloro-phenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1λ⁶-benzo[1,4]thiazine-2-carbonitrile
• 英文别名: 3-(4-chlorophenyl)-2-cyano-3,4-dihydrobenzo[b]-1,4-thiazine 1,1-dioxide；3-(p-Chlorphenyl)-2-cyanobenzothiamorpholin-1,1-dioxid；3-(4-chlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},4-benzothiazine-2-carbonitrile；3-(4-chlorophenyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazine-2-carbonitrile
• CAS: 39889-31-1
• 化学式: C₁₅H₁₁ClN₂O₂S
• 分子量: 318.784
• InChiKey: NVSVRADWBOQMJD-UHFFFAOYSA-N

物化性质

• 沸点：
  606.2±55.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  78.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(4-chloro-phenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1λ⁶-benzo[1,4]thiazine-2-carbonitrile 在 N,N-二甲基甲酰胺 potassium tert-butylate 、 N-氟代双苯磺酰胺 作用下， 以 四氢呋喃 为溶剂， 以24%的产率得到3-(4-chlorophenyl)-2-cyano-2-fluoro-3,4-dihydrobenzo[b]-1,4-thiazine 1,1-dioxide
  参考文献：
  名称：

  [EN] ARYLSULFONE DERIVATIVES WITH ACTIVITY AGAINST HUMAN BETAHERPESVIRUSES
  [FR] DÉRIVÉS D'ARYLSULFONE AGISSANT CONTRE LES VIRUS DE BÉTA-HERPÈS HUMAINS

  摘要：

  本发明涉及具有抗病毒活性的化合物和组合物，特别是抗疱疹活性，更具体地说是抗β-疱疹活性。本发明的化合物为式(I)的化合物，或其互变异构体，或其药学上可接受的盐或溶剂，其中R1、R2、R3、R4、R5和R6具有定义的含义。

  公开号：

  WO2012113920A1
• 作为产物：
  描述：

  sodium 2-nitrobenzenesulfinate 在 ammonium acetate 、 铁粉 、 N,N-二甲基甲酰胺 作用下， 以 水 、 溶剂黄146 为溶剂， 生成 3-(4-chloro-phenyl)-1,1-dioxo-1,2,3,4-tetrahydro-1λ⁶-benzo[1,4]thiazine-2-carbonitrile
  参考文献：
  名称：

  Baliah,V.; Ananthapadmanabhan,S., Indian Journal of Chemistry, 1972, vol. 10, p. 917 - 918

  摘要：

  DOI：

文献信息

• METHOD OF TREATING VIRAL INFECTIONS
  申请人：EPIPHANY BIOSCIENCES

  公开号：US20150050241A1

  公开（公告）日：2015-02-19

  The present invention is directed to methods and compositions employing 9-(4-hydroxy-2-(hydroxymethyl)butyl)guanine (“H2G”) or derivatives or analogs thereof for the treatment of viral diseases, as well as for the treatment of other conditions, including, but not limited to, cancer, chronic fatigue syndrome, Alzheimer's disease, multiple sclerosis and Graves' disease. The H2G or derivative or analog thereof can be administered in a pharmaceutical composition and can be administered with an additional antiviral therapeutic agent or another agent for the treatment of other conditions.

  本发明涉及使用9-（4-羟基-2-（羟甲基）丁基）鸟嘌呤（“H2G”）或其衍生物或类似物的方法和组合物，用于治疗病毒性疾病，以及用于治疗其他疾病，包括但不限于癌症、慢性疲劳综合征、阿尔茨海默病、多发性硬化症和格雷夫斯病。 H2G或其衍生物或类似物可以在药物组合物中给予，并且可以与其他抗病毒治疗药物或其他治疗其他疾病的药物一起给予。
• TREATMENT AND/OR PREVENTION OF MULTIPLE SCLEROSIS
  申请人：Epiphany Biosciences, Inc.

  公开号：EP2274042A1

  公开（公告）日：2011-01-19
• [EN] TREATMENT AND/OR PREVENTION OF MULTIPLE SCLEROSIS<br/>[FR] TRAITEMENT ET/OU PRÉVENTION DE LA SCLÉROSE EN PLAQUES
  申请人：EPIPHANY BIOSCIENCES INC

  公开号：WO2009126327A1

  公开（公告）日：2009-10-15

  Described herein are combinations including a therapeutically effective amount of an antiviral agent or a pharmaceutically acceptable salt, hydrate or solvate thereof and a therapeutically effective amount of a multiple sclerosis drug or a pharmaceutically acceptable salt, hydrate or solvate thereof and pharmaceutical compositions thereof. Also described herein are methods for the treatment and/or prevention of various diseases and disorders including multiple sclerosis (MS) and viral infections with a therapeutically effective amount of an antiviral agent or a pharmaceutically acceptable salt, hydrate or solvate thereof or a pharmaceutical composition thereof or the combinations above, or pharmaceutical compositions thereof and methods for the manufacture of these pharmaceutical compositions.
• [EN] METHOD OF TREATING AND/OR PREVENTING SHINGLES AND METHOD OF TREATING AND/OR PREVENTING ZOSTER ASSOCIATED PAIN<br/>[FR] MÉTHODE DE TRAITEMENT ET/OU DE PRÉVENTION DU ZONA ET MÉTHODE DE TRAITEMENT ET/OU DE PRÉVENTION DE LA DOULEUR ASSOCIÉE AU ZONA
  申请人：EPIPHANY BIOSCIENCES

  公开号：WO2014047562A2

  公开（公告）日：2014-03-27

  Described herein are methods for the treatment and/or prevention of shingles with antiviral agent or salts, solvates or hydrates thereof. Also described herein are methods for the treatment and/or prevention of post herpetic neuralgia with antiviral agents or salts, hydrates or solvates thereof.
• [EN] RIBONUCLEASES FOR TREATING VIRAL INFECTIONS<br/>[FR] RIBONUCLÉASES POUR TRAITER DES INFECTIONS VIRALES
  申请人：ORGENESIS INC

  公开号：WO2021188974A1

  公开（公告）日：2021-09-23

  This disclosure is directed to compounds and pharmaceutical compositions for treating and preventing viral diseases, as Covid-19. Among others, the invention relates to the use of immune cells and ribonucleases in the preparation and use of pharmaceutical formulations for the treatment of said disease.