4-nitrobenzisothiazole | 139037-03-9

• 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: 4-nitrobenzisothiazole
• 英文别名: 4-Nitrobenzo[d]isothiazole；4-nitro-1,2-benzothiazole
• CAS: 139037-03-9
• 化学式: C₇H₄N₂O₂S
• 分子量: 180.187
• InChiKey: JJSWRWOWWXTUBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-硝基苯并异噻唑 、 4-nitrobenzisothiazole 、 Disodium sulfide nonahydrate 、 water ethanol 在 水 、 Brine 、 Sodium sulfate-III 、 crude product 、 silica 、 Isohexane ethyl acetate 作用下， 以 乙酸乙酯 为溶剂， 反应 1.5h， 以to give a yellow solid 14 mg的产率得到1,2-苯并异噻唑-5-胺
  参考文献：
  名称：

  Derivatives of n-(1h-indazolyl)-and n-(1h-indolyl)-urea as well as related compounds as modulators of the vanilloid-1 receptor (vr1) for treatment of pain

  摘要：

  式(I)的化合物：其中A、B和D分别为C、N、O或S；E为C或N；五元环内的点圈表示该环可能不饱和或部分饱和；R1为卤素、羟基、C1-6烷基、卤代C1-6烷基、羟基C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基、羟基C1-6烷氧基、C3-7环烷基、C3-5环烷基C1-4烷基、NR7R8、C1-6烷基取代的NR7R8、C1-6烷氧基取代的NR7R8、氧代、氰基、SO2NR7R8、CONR7R8、NHCOR9或NHSO2R9；R2为卤素、羟基、C1-6烷基、卤代C1-6烷基、羟基C1-6烷基、C1-6烷氧基、卤代C1-6烷氧基、羟基C1-6烷氧基、C3-7环烷基、C3-5环烷基C1-4烷基、NR7R8、C1-6烷基取代的NR7R8、C1-6烷氧基取代的NR7R8、氰基、SON2R7R8、CONR7R8、NHCOR9或NHSO2R9；R3和R4分别独立地为氢、C1-6烷基、苯基或卤代苯基；R5和R6在每次出现时独立地为氢、C1-6烷基、苯基、卤代苯基或羧基；X为氧或硫原子；Y为芳基、杂芳基、碳环基或融合碳环基基团；n为零或1至3的整数；p为零或1至4的整数；q为零或1至3的整数；其他取代基在权利要求中定义；在治疗疼痛和其他通过调节vanilloid-1受体（VR1）功能改善的疾病中特别有用的治疗化合物。

  公开号：

  US20070078156A1

文献信息

• Nematizide Mittel
  申请人：Novartis AG

  公开号：EP0454621B1

  公开（公告）日：2000-07-12
• DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP1675587A2

  公开（公告）日：2006-07-05
• US5169951A
  申请人：——

  公开号：US5169951A

  公开（公告）日：1992-12-08
• US5447945A
  申请人：——

  公开号：US5447945A

  公开（公告）日：1995-09-05
• [EN] HETEROAROMATIC UREAS WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1)<br/>[FR] UREES HETEROAROMATIQUES MODULANT LA FONCTION DU RECEPTEUR VANILLOIODE-1 (VR1)
  申请人：MERCK SHARP & DOHME

  公开号：WO2005028445A2

  公开（公告）日：2005-03-31

  Compounds of formula (I): wherein A, B and D are each C, N, O or S; E is C or N; the dotted circle within the five-membered ring indicates that the ring may be unsaturated or partially saturated;. R 1 is halogen, hydroxy, C 1-6 álkyl, haloC 1-6 alkyl, hydroxyC 1-6 alkyl, C 1-6 alkoxy, halo C 1-6 alkoxy, hydroxyC 1-6 alkoxy, C 3-7 cycloalkyl, C 3-5 cycloalkylC 1-4 alkyl, NR7R8, C 1-6 alkyl substituted with NR7R8, C, 1-6 alkoxy substituted with NR7R8, oxo, cyano, SO2NR7R8, CONR7R8, NHCOR9 or NHSO2R 9 ; R2 is halogen, hydroxy, C 1-6 alkyl, halo C 1-6 alkyl, hydroxyC 1-6 alkyl, C 1-6 alkoxy, halo C 1-6 alkoxy, hydroxyC 1-6 alkoxy, C 3-7 cycloalkyl, C 3-5 cycloalkylC 1-4 alkyl, NR7R8, C 1-6 alkyl substituted with NR7R8, C 1-6 , alkoxy substituted with NR7R8, cyano, SON2R7R8, CONR7R8, NHCOR9 , or NHSO2R9; R3 and R 4 are each independently hydrogen, C 1-6 ,alkyl, phenyl or halophenyl; R5 and R 6 are, at each occurrence, independently hydrogen, C 1-6 alkyl, phenyl, halophenyl or carboxy; X is an oxygen or sulfur atom; Y is an aryl, heteroaryl, carbocyclyl or fused-carbocyclyl group; n is either zero or an integer from 1 to 3; p is either zero or an integer from, 1 to 4; and q is either zero or an integer from 1 to 3; the other substituents are defined in claim 1; are useful as therapeutic compounds, particularly in the treatment of pain and other conditions ameliorated by the modulation of the function of the vanilloid-1 receptor (VR1).