5-Phenylpyridine-2-thiol | 149530-82-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-Phenylpyridine-2-thiol
• 英文别名: 5-phenyl-1H-pyridine-2-thione
• CAS: 149530-82-5
• 化学式: C₁₁H₉NS
• 分子量: 187.265
• InChiKey: WDORLAWJYGPUSU-UHFFFAOYSA-N

物化性质

• 沸点：
  308.9±45.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-Phenylpyridine-2-thiol 、 2-chloro-N-methyl-N-(4-methylthiazol-2-yl)acetamide 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(5-phenylpyridin-2-yl)sulfanylacetamide
  参考文献：
  名称：

  Further optimization of the K-Cl cotransporter KCC2 antagonist ML077: Development of a highly selective and more potent in vitro probe

  摘要：

  Further chemical optimization of the MLSCN/MLPCN probe ML077 (KCC2 IC50 = 537 nM) proved to be challenging as the effort was characterized by steep SAR. However, a multi-dimensional iterative parallel synthesis approach proved productive. Herein we report the discovery and SAR of an improved novel antagonist (VU0463271) of the neuronal-specific potassium-chloride cotransporter 2 (KCC2), with an IC50 of 61 nM and > 100-fold selectivity versus the closely related Na-K-2Cl cotransporter 1 (NKCC1) and no activity in a larger panel of GPCRs, ion channels and transporters. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.126
• 作为产物：
  描述：

  2-氯-5-苯基吡啶 在 硫脲 作用下， 反应 0.25h， 生成 5-Phenylpyridine-2-thiol
  参考文献：
  名称：

  Further optimization of the K-Cl cotransporter KCC2 antagonist ML077: Development of a highly selective and more potent in vitro probe

  摘要：

  Further chemical optimization of the MLSCN/MLPCN probe ML077 (KCC2 IC50 = 537 nM) proved to be challenging as the effort was characterized by steep SAR. However, a multi-dimensional iterative parallel synthesis approach proved productive. Herein we report the discovery and SAR of an improved novel antagonist (VU0463271) of the neuronal-specific potassium-chloride cotransporter 2 (KCC2), with an IC50 of 61 nM and > 100-fold selectivity versus the closely related Na-K-2Cl cotransporter 1 (NKCC1) and no activity in a larger panel of GPCRs, ion channels and transporters. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.126

文献信息

• LINEAR PEPTIDE ANTIBIOTCS
  申请人：RQX PHARMACEUTICALS, INC.

  公开号：US20160194358A1

  公开（公告）日：2016-07-07

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. The compounds provided herein can in other embodiments overcome the resistance conferred by single amino acid mutations at defined positions of bacterial Signal Peptidases (SPases) and in other embodiments provide for a broad spectrum of antibiotic bioactivity. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

  本文提供了一些抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在其他实施例中，这些化合物可以克服细菌信号肽酶（SPases）定义位置上的单个氨基酸突变所带来的耐药性，并提供广谱抗生素生物活性。还提供了使用所述化合物的制药组合物和治疗方法。
• LINEAR PEPTIDE ANTIBIOTICS
  申请人：RQX Pharmaceuticals, Inc.

  公开号：EP3033352A1

  公开（公告）日：2016-06-22
• [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS)
  申请人：Samsung Display Co., Ltd.

  公开号：EP3301097B1

  公开（公告）日：2020-08-19
• CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THIN FILM FORMED FROM THE COMPOSITION
  申请人：Samsung Display Co., Ltd.

  公开号：EP3822258B1

  公开（公告）日：2022-06-15
• [EN] LINEAR PEPTIDE ANTIBIOTCS<br/>[FR] ANTIBIOTIQUES À BASE DE PEPTIDES LINÉAIRES
  申请人：RQX PHARMACEUTICALS INC

  公开号：WO2015023898A1

  公开（公告）日：2015-02-19

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. The compounds provided herein can in other embodiments overcome the resistance conferred by single amino acid mutations at defined positions of bacterial Signal Peptidases (SPases) and in other embodiments provide for a broad spectrum of antibiotic bioactivity. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.