cyclohexyl(3-phenyl-5-(thiophen-2-ylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone | 1491165-50-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: cyclohexyl(3-phenyl-5-(thiophen-2-ylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
• 英文别名: cyclohexyl-[3-phenyl-5-(2-thienylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]methanone；cyclohexyl-(3-phenyl-5-thiophen-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methanone
• CAS: 1491165-50-4
• 化学式: C₂₃H₂₅N₃O₃S₂
• 分子量: 455.602
• InChiKey: FXOREIZANJTDGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 在 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 cyclohexyl(3-phenyl-5-(thiophen-2-ylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)methanone
  参考文献：
  名称：

  Development of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives as novel Mycobacterium tuberculosis pantothenate synthetase inhibitors

  摘要：

  Forty 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives were synthesized from piperidin-4-one by five step synthesis and evaluated for Mycobacterium tuberculosis (MTB) pantothenate synthetase (PS) inhibition study, in vitro activities against MTB, cytotoxicity against RAW 264.7 cell line. Among the compounds, 1-benzoyl-N-(4-nitrophenyl)-3-phenyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxamide (6ac) was found to be the most active compound with IC50 of 21.8 +/- 0.8 mu M against MTB PS, inhibited MTB with MIC of 26.7 mu M and it was non-cytotoxic at 50 RM. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.08.036