N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide | 946300-76-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
• 英文别名: N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
• CAS: 946300-76-1
• 化学式: C₁₆H₂₀N₂O₄S₃
• mdl: MFCD09236746
• 分子量: 400.544
• InChiKey: XKPZJPNEGCGXNZ-UHFFFAOYSA-N

物化性质

• 沸点：
  579.8±60.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  7-硝基-1,2,3,4-四氢喹啉 在 吡啶 、 一水合肼 作用下， 以 甲醇 为溶剂， 反应 34.51h， 生成 N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
  参考文献：
  名称：

  Facile Synthesis and Preliminary Structure–Activity Analysis of New Sulfonamides Against Trypanosoma brucei

  摘要：

  The high throughput screening of a library of over 87,000 drug-like compounds against the African sleeping sickness parasite resulted in the discovery of hits with a wide range of molecular diversity. We report here the medicinal chemistry development of one such hit, a tetrahydroisoquinoline disulfonamide, with the synthesis and testing of 26 derivatives against the trypanosome subspecies. Activities in the 2-4 mu M range were revealed with a selectivity index suitable for further development.

  DOI：

  10.1021/ml400487t

文献信息

• [EN] CO-POTENTIATORS FOR THERAPY OF CYSTIC FIBROSIS CAUSED BY MINIMAL FUNCTION CFTR MUTANTS<br/>[FR] CO-POTENTIALISATEURS POUR THÉRAPIE DE LA FIBROSE KYSTIQUE PROVOQUÉE PAR DES MUTANTS CFTR À FONCTION MINIMALE
  申请人：UNIV CALIFORNIA

  公开号：WO2021041997A1

  公开（公告）日：2021-03-04

  Provided herein are combination-potentiator ("co-potentiator") therapeutic regimens, which can be used to modulate cystic fibrosis transmembrane conductance regulator (CTFR) mutant proteins. Co-potentiators have potential utility for treatment of many loss-of-function mutations of the CFTR chloride channel (e.g., N1303K).
• Facile Synthesis and Preliminary Structure–Activity Analysis of New Sulfonamides Against <i>Trypanosoma brucei</i>
  作者：Adel A. Rashad、Amy J. Jones、Vicky M. Avery、Jonathan Baell、Paul A. Keller

  DOI：10.1021/ml400487t

  日期：2014.5.8

  The high throughput screening of a library of over 87,000 drug-like compounds against the African sleeping sickness parasite resulted in the discovery of hits with a wide range of molecular diversity. We report here the medicinal chemistry development of one such hit, a tetrahydroisoquinoline disulfonamide, with the synthesis and testing of 26 derivatives against the trypanosome subspecies. Activities in the 2-4 mu M range were revealed with a selectivity index suitable for further development.