4-[(2-Ethylpiperidin-1-yl)sulfonyl]aniline | 436091-87-1

• 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-[(2-Ethylpiperidin-1-yl)sulfonyl]aniline
• 英文别名: 4-(2-ethylpiperidin-1-yl)sulfonylaniline
• CAS: 436091-87-1
• 化学式: C₁₃H₂₀N₂O₂S
• mdl: MFCD03050282
• 分子量: 268.38
• InChiKey: OBMKBCJDJKVFFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  1-甲基-3-(三氟甲基)-1H-吡唑-5-甲酰氯 、 4-[(2-Ethylpiperidin-1-yl)sulfonyl]aniline 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
  参考文献：
  名称：

  Potent Non-Nucleoside Inhibitors of the Measles Virus RNA-Dependent RNA Polymerase Complex

  摘要：

  Measles virus (MV) is one of the most infectious pathogens known. In spite of the existence of a vaccine, approximately 350000 deaths/year result from MV or associated complications. Antimeasles compounds Could conceivably diminish these statistics and provide a therapy that complements vaccine treatment. We recently described a high-throughput screening hit compound 1 (16677) against MV-infected cells with the capacity to eliminate viral reproduction at 250 nM by inhibiting the action of the virus's RNA-dependent RNA polymerase complex (RdRp). The compound, 1-methyl-3-(trifluoroi-nethyl)-N-[4-sulfonylphenyl]-1H-pyrazole-5-carboxamide, 1 carries a critical CF3 moiety on the 1,2-pyrazole ring. Elaborating on the preliminary structure-activity (SAR) study, the present work presents the synthesis and SAR of a much broader range of low nanomolar nonpeptidic MV inhibitors and speculates on the role of the CF3 functionality.

  DOI：

  10.1021/jm701239a

文献信息

• Synthesis of 5-oxo-1-[4-(aminosulfonyl)phenyl]pyrrolidine-3-carboxylic acids
  作者：S. A. Serkov、N. V. Sigay、N. N. Kostikova、A. P. Tyurin、N. G. Kolotyrkina、G. A. Gazieva

  DOI：10.1007/s11172-024-4243-5

  日期：2024.5

  A series of new 1-[4-(aminosulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acids were synthesized by the solvent-free condensation of 4-aminobenzenesulfonamides with itaconic acid at 140–165 °C. The synthesized compounds were examined for antimicrobial activity.

  通过 4-氨基苯磺酰胺与衣康酸在 140–165 °C 下无溶剂缩合合成了一系列新型 1-[4-(氨基磺酰基)苯基]-5-氧代吡咯烷-3-羧酸。检查合成化合物的抗菌活性。