1-(4-甲基-3-硝基苯基磺酰基)哌啶 | 91558-67-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-甲基-3-硝基苯基磺酰基)哌啶
• 英文名称: 1-(4-methyl-3-nitrophenylsulfonyl)piperidine
• 英文别名: 1-(2-nitro-toluene-4-sulfonyl)-piperidine；1-(2-Nitro-toluol-4-sulfonyl)-piperidin；3-Nitro-4-methyl-benzolsulfonsaeure-piperidid；2-Nitrotoluol-4-sulfonpiperidid；1-[(4-Methyl-3-nitrobenzene)sulfonyl]piperidine；1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
• CAS: 91558-67-7
• 化学式: C₁₂H₁₆N₂O₄S
• mdl: MFCD00577549
• 分子量: 284.336
• InChiKey: PCGFEOXSDDGDMG-UHFFFAOYSA-N

物化性质

• 熔点：
  109.0-109.3 °C
• 沸点：
  431.3±55.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4-甲基-3-硝基苯基磺酰基)哌啶 在 tin(II) chloride dihdyrate 、 水 、 sodium hydride 、 苯硫酚 、 三乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 、 mineral oil 为溶剂， 反应 0.08h， 生成 1-hydroxy-6-(piperidin-1-ylsulfonyl)-1H-indole-2-carboxylic acid
  参考文献：
  名称：

  Synthesis of sulfonamide-containing N-hydroxyindole-2-carboxylates as inhibitors of human lactate dehydrogenase-isoform 5

  摘要：

  N-Hydroxyindole-2-carboxylates possessing sulfonamide-substituents at either position 5 or 6 were designed and synthesized. The inhibitory activities of these compounds against isoforms 1 and 5 of human lactate dehydrogenase were analysed, and K-i values of the most efficient inhibitors were determined by standard enzyme kinetic studies. Some of these compounds displayed state-of-the-art inhibitory potencies against isoform 5 (K-i values as low as 5.6 mu M) and behaved as competitive inhibitors versus both the substrate and the cofactor. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.031
• 作为产物：
  描述：

  二-(4-甲苯基)-二砜 在 1,4-二氧六环 、 硫酸 、 硝酸 作用下， 生成 1-(4-甲基-3-硝基苯基磺酰基)哌啶
  参考文献：
  名称：

  Backer, Recueil des Travaux Chimiques des Pays-Bas, 1951, vol. 70, p. 254,257

  摘要：

  DOI：

文献信息

• Groves; Turner; Sharp, Journal of the Chemical Society, 1929, p. 521
  作者：Groves、Turner、Sharp

  DOI：——

  日期：——
• Synthesis of sulfonamide-containing N-hydroxyindole-2-carboxylates as inhibitors of human lactate dehydrogenase-isoform 5
  作者：Carlotta Granchi、Sarabindu Roy、Marco Mottinelli、Elisa Nardini、Fabio Campinoti、Tiziano Tuccinardi、Mario Lanza、Laura Betti、Gino Giannaccini、Antonio Lucacchini、Adriano Martinelli、Marco Macchia、Filippo Minutolo

  DOI：10.1016/j.bmcl.2011.10.031

  日期：2011.12

  N-Hydroxyindole-2-carboxylates possessing sulfonamide-substituents at either position 5 or 6 were designed and synthesized. The inhibitory activities of these compounds against isoforms 1 and 5 of human lactate dehydrogenase were analysed, and K-i values of the most efficient inhibitors were determined by standard enzyme kinetic studies. Some of these compounds displayed state-of-the-art inhibitory potencies against isoform 5 (K-i values as low as 5.6 mu M) and behaved as competitive inhibitors versus both the substrate and the cofactor. (C) 2011 Elsevier Ltd. All rights reserved.
• Backer, Recueil des Travaux Chimiques des Pays-Bas, 1951, vol. 70, p. 254,257
  作者：Backer

  DOI：——

  日期：——