4-[5-(4-chlorophenyl)-3-(2H-tetrazol-5-yl)-4,5-dihydro-pyrazol-1-yl]-benzenesulfonamide | 1345042-11-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[5-(4-chlorophenyl)-3-(2H-tetrazol-5-yl)-4,5-dihydro-pyrazol-1-yl]-benzenesulfonamide
• 英文别名: 4-[3-(4-chlorophenyl)-5-(2H-tetrazol-5-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
• CAS: 1345042-11-6
• 化学式: C₁₆H₁₄ClN₇O₂S
• 分子量: 403.852
• InChiKey: SLMFINZQSNKARJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[5-(4-chlorophenyl)-3-(2H-tetrazol-5-yl)-4,5-dihydro-pyrazol-1-yl]-benzenesulfonamide 、 碘甲烷 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到4-[5-(4-chloro-phenyl)-3-(2-methyl-2H-tetrazol-5-yl)-4,5-dihydro-pyrazol-1-yl]-benzenesulfonamide
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of some new 4,5-dihydro-1,5-diaryl-1H-pyrazole-3-substituted-heteroazole derivatives

  摘要：

  A series of 4,5-dihydro-1,5-diaryl-1H-pyrazole-3-substituted-heteroazoles were designed and synthesized in order to obtain new compounds with potential anti-inflammatory activity. The title compounds were screened for in vivo anti-inflammatory activity by using Carrageenan induced rat paw edema method. Diclofenac sodium was used as a standard drug for comparison. Out of the 30 compounds tested, compound 19a, 19b, 25a, 25b exhibited significant anti-inflammatory activity. Selected compounds were also screened for in vitro COX-2 inhibition assay and analgesic activity in the acetic acid induced writhing model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.061
• 作为产物：
  描述：

  potassium 4-(4-chlorophenyl)-2-oxobut-3-enoate 在 氯化亚砜 、 草酰氯 、 二正丁基氧化锡 、 Ammonium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 16.33h， 生成 4-[5-(4-chlorophenyl)-3-(2H-tetrazol-5-yl)-4,5-dihydro-pyrazol-1-yl]-benzenesulfonamide
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of some new 4,5-dihydro-1,5-diaryl-1H-pyrazole-3-substituted-heteroazole derivatives

  摘要：

  A series of 4,5-dihydro-1,5-diaryl-1H-pyrazole-3-substituted-heteroazoles were designed and synthesized in order to obtain new compounds with potential anti-inflammatory activity. The title compounds were screened for in vivo anti-inflammatory activity by using Carrageenan induced rat paw edema method. Diclofenac sodium was used as a standard drug for comparison. Out of the 30 compounds tested, compound 19a, 19b, 25a, 25b exhibited significant anti-inflammatory activity. Selected compounds were also screened for in vitro COX-2 inhibition assay and analgesic activity in the acetic acid induced writhing model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.061