1,2-benzisothiazol-7-amine | 1379298-69-7

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1,2-benzisothiazol-7-amine
• 英文别名: Benzo[C]isothiazol-7-amine；2,1-benzothiazol-7-amine
• CAS: 1379298-69-7
• 化学式: C₇H₆N₂S
• 分子量: 150.204
• InChiKey: RXLIUQPHMAEAKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 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：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2-benzisothiazol-7-amine 、 4-三氟甲基苄基异腈酸酯 以 二氯甲烷 、 1,2-二氯乙烷 、 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 87.0h， 以33%的产率得到N-(1,2-benzoisothiazol-7-yl)-N'-[4-(trifluoromethyl)benzyl]urea
  参考文献：
  名称：

  [EN] 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
  [FR] UREES HETEROAROMATIQUES MODULANT LA FONCTION DU RECEPTEUR VANILLOIODE-1 (VR1)

  摘要：

  公开号：

  WO2005028445A3
• 作为产物：
  描述：

  7-Nitro-2,1-benzisothiazol 在 sodium sulfide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.75h， 以19%的产率得到1,2-benzisothiazol-7-amine
  参考文献：
  名称：

  [EN] 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
  [FR] UREES HETEROAROMATIQUES MODULANT LA FONCTION DU RECEPTEUR VANILLOIODE-1 (VR1)

  摘要：

  公开号：

  WO2005028445A3

文献信息

• 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
• [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).
• [EN] 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<br/>[FR] UREES HETEROAROMATIQUES MODULANT LA FONCTION DU RECEPTEUR VANILLOIODE-1 (VR1)
  申请人：MERCK SHARP & DOHME

  公开号：WO2005028445A3

  公开（公告）日：2005-06-02