1-(2-氟苯磺酰氨基)-2-氨基乙烷 | 1016721-27-9

• 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-(2-氟苯磺酰氨基)-2-氨基乙烷
• 英文名称: 1-(2-fluorophenylsulfonylamido)-2-amino ethane
• 英文别名: N-(2-aminoethyl)-2-fluorobenzenesulfonamide
• CAS: 1016721-27-9
• 化学式: C₈H₁₁FN₂O₂S
• 分子量: 218.252
• InChiKey: BLLDXTKVSRIUMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-氟苯磺酰氨基)-2-氨基乙烷 、 (S)-(+)-3-(2-cyanophenoxy)-1,2-epoxypropane 在 二乙基甲氧基硼烷 、 N,N-二异丙基乙胺 、 ytterbium(III) triflate 作用下， 以 乙腈 为溶剂， 以45%的产率得到(S)-N-(2-(3-(2-cyanophenoxy)-2-hydroxypropylamino)ethyl)-2-fluorobenzenesulfonamide
  参考文献：
  名称：

  Synthesis and Cardiac Imaging of ¹⁸F-Ligands Selective for β₁-Adrenoreceptors

  摘要：

  A series of potent and selective beta(1)-adrenoreceptor ligands were identified (IC50 range, 0.04-0.25 nM; beta(1)/beta(2) selectivity range, 65-450-fold), labeled with the PET radioisotope fluorine-18 and evaluated in normal Sprague-Dawley rats. Tissue distribution studies demonstrated uptake of each radiotracers from the blood pool into the myocardium (0.48-0.62% ID/g), lung (0.63-0.97% ID/g), and liver (1.03-1.14% ID/g). Dynamic mu PET imaging confirmed the in vivo dissection studies.

  DOI：

  10.1021/ml1002458
• 作为产物：
  描述：

  2-氟苯磺酰氯 在 palladium on activated charcoal 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 1-(2-氟苯磺酰氨基)-2-氨基乙烷
  参考文献：
  名称：

  Synthesis and Cardiac Imaging of ¹⁸F-Ligands Selective for β₁-Adrenoreceptors

  摘要：

  A series of potent and selective beta(1)-adrenoreceptor ligands were identified (IC50 range, 0.04-0.25 nM; beta(1)/beta(2) selectivity range, 65-450-fold), labeled with the PET radioisotope fluorine-18 and evaluated in normal Sprague-Dawley rats. Tissue distribution studies demonstrated uptake of each radiotracers from the blood pool into the myocardium (0.48-0.62% ID/g), lung (0.63-0.97% ID/g), and liver (1.03-1.14% ID/g). Dynamic mu PET imaging confirmed the in vivo dissection studies.

  DOI：

  10.1021/ml1002458

文献信息

• Synthesis, Antibacterial Activity, and Action Mechanism of Novel Sulfonamides Containing Oxyacetal and Pyrimidine
  作者：Rong Wu、Ting Liu、Sikai Wu、Hongde Li、Runjiang Song、Baoan Song

  DOI：10.1021/acs.jafc.2c02099

  日期：2022.8.3

  However, the control of these diseases by conventional pesticides remains challenging due to development of resistances. We aimed to address this pending problem and developed a series of novel pyrimidine sulfonamide derivatives. Structurally, title compounds bear a unique oxyacetal group, which has a proven immune-activating effect. Compound E35 designed based on the 3D-QSAR model was demonstrated

  细菌性叶枯病（BLB）和细菌性叶斑病（BLS）是由米黄单胞菌引起的两种严重的细菌性病害。oryzae ( Xoo ) 和Xanthomonas oryzae pv. oryzicola ( Xoc )，分别。然而，由于耐药性的发展，传统农药对这些疾病的控制仍然具有挑战性。我们旨在解决这个悬而未决的问题，并开发了一系列新型嘧啶磺酰胺衍生物。在结构上，标题化合物带有一个独特的氧缩醛基团，具有经证实的免疫激活作用。基于 3D-QSAR 模型设计的化合物E35在体外被证明是最佳的对Xoo和Xoc的活性，EC 50值分别为 26.7 和 30.8 mg/L，高于阳性对照双甲基噻唑（29.9 和 32.7 mg/L）和噻二唑铜（30.5 和 36.4 mg/L）。在预防水平上，生物活性试验表明，化合物E35对BLS的保护活性（43.7%）优于噻二唑铜（32.1%）。防御酶和蛋白质组学结果表明，化合物E
• Synthesis and Cardiac Imaging of ¹⁸F-Ligands Selective for β₁-Adrenoreceptors
  作者：Heike S. Radeke、Ajay Purohit、Thomas D. Harris、Kelley Hanson、Reinaldo Jones、Carol Hu、Padmaja Yalamanchili、Megan Hayes、Ming Yu、Mary Guaraldi、Mikhail Kagan、Michael Azure、Michael Cdebaca、Simon Robinson、David Casebier

  DOI：10.1021/ml1002458

  日期：2011.9.8

  A series of potent and selective beta(1)-adrenoreceptor ligands were identified (IC50 range, 0.04-0.25 nM; beta(1)/beta(2) selectivity range, 65-450-fold), labeled with the PET radioisotope fluorine-18 and evaluated in normal Sprague-Dawley rats. Tissue distribution studies demonstrated uptake of each radiotracers from the blood pool into the myocardium (0.48-0.62% ID/g), lung (0.63-0.97% ID/g), and liver (1.03-1.14% ID/g). Dynamic mu PET imaging confirmed the in vivo dissection studies.