2-[(4-Methoxyphenyl)sulfanyl]benzamide | 89114-62-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[(4-Methoxyphenyl)sulfanyl]benzamide
• 英文别名: 2-(4-methoxyphenyl)sulfanylbenzamide
• CAS: 89114-62-5
• 化学式: C₁₄H₁₃NO₂S
• 分子量: 259.329
• InChiKey: BZYBGTXJKCGFRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  77.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[(4-Methoxyphenyl)sulfanyl]benzamide 在 lithium aluminium tetrahydride 、 吡啶盐酸盐 作用下， 以 乙醚 为溶剂， 反应 6.5h， 生成 4-[2-(Aminomethyl)phenyl]sulfanylphenol
  参考文献：
  名称：

  Jilek, Jiri; Sindelar, Karel; Pomykacek, Josef, Collection of Czechoslovak Chemical Communications, 1989, vol. 54, # 12, p. 3294 - 3338

  摘要：

  DOI：
• 作为产物：
  描述：

  2-((4-methoxyphenyl)thio)benzoic acid 在 吡啶 、 氯化亚砜 作用下， 以 甲醇 、 苯 为溶剂， 反应 10.5h， 生成 2-[(4-Methoxyphenyl)sulfanyl]benzamide
  参考文献：
  名称：

  异羟肟酸的光化学

  摘要：

  已经研究了异羟肟酸的光化学反应。根据在光化学条件下用DCA进行的氧化，推测RCONH自由基的中间体。

  DOI：

  10.1016/s0040-4020(01)87717-6

文献信息

• Synthesis of Diaryl Ethers, Diaryl Thioethers, and Diarylamines Mediated by Potassium Fluoride−Alumina and 18-Crown-6:  Expansion of Scope and Utility¹
  作者：J. Scott Sawyer、Elisabeth A. Schmittling、Jayne A. Palkowitz、William J. Smith

  DOI：10.1021/jo980800g

  日期：1998.9.1

  An efficient alternative to the Ullmann ether synthesis of diaryl ethers, diaryl thioethers, and diarylamines involving the SNAr addition of a phenol, thiophenol, or aniline to an appropriate aryl halide, mediated by potassium-fluoride alumina and 18-crown-6 in acetonitrile or DMSO, is described. Expansion of the reaction conditions to include DMSO as solvent has resulted in a far greater range of substitution patterns permitted on the electrophile. For example, it was found that electronically unfavorable S-chlorobenzonitrile could be condensed with 3-methoxyphenol to form the corresponding diaryl ether in 66% yield, a combination not normally amenable to Ullmann coupling. Electron-withdrawing groups present on the electrophile may be as diverse as nitro, cyano, formyl, acetyl, ester, amide, and even aryl. The method features a simple reaction procedure that provides products in generally good to excellent purified yields.
• Photochemical reactions of benzohydroxamic acids
  作者：Pradeep Chhaya、Manmohan Nimbalkar、Bhaskar Hosangadi

  DOI：10.1016/s0040-4039(00)94138-8

  日期：1983.1
• HOSANGADI, B. D.;CHHAYA, P. N.;NIMBALKAR, M. M.;PATEL, N. R., TETRAHEDRON, 43,(1987) N 22, 5375-5380
  作者：HOSANGADI, B. D.、CHHAYA, P. N.、NIMBALKAR, M. M.、PATEL, N. R.

  DOI：——

  日期：——
• SYSTEM AND METHOD FOR HOMOGENOUS GPCR PHOSPHORYLATION AND IDENTIFICATION OF BETA-2 ADRENERGIC RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Duke University

  公开号：EP3787637A1

  公开（公告）日：2021-03-10
• [EN] SYSTEM AND METHOD FOR HOMOGENOUS GPCR PHOSPHORYLATION AND IDENTIFICATION OF BETA-2 ADRENERGIC RECEPTOR POSITIVE ALLOSTERIC MODULATORS<br/>[FR] SYSTÈME ET PROCÉDÉ DE PHOSPHORYLATION DU GPCR HOMOGÈNE ET D'IDENTIFICATION DE MODULATEURS ALLOSTÉRIQUES POSITIFS DES RÉCEPTEURS BÊTA-2 ADRÉNERGIQUE
  申请人：UNIV DUKE

  公开号：WO2019157144A1

  公开（公告）日：2019-08-15

  The disclosure is directed to a G-protein coupled receptor complex. The complex includes (i) a chimeric G protein-coupled receptor (GPCR) comprising a non-native amino acid sequence located within the C-terminus of the GPCR and a synthetic phosphopeptide ligated to the non- native amino acid sequence; and (ii) a β-arrestin (βarr) protein bound to the C-terminus of the GPCR. The disclosure also provides an in vitro method for producing the aforementioned complex, as well as methods for identifying compounds or ligands which bind to and modulate the activity of the complex. Positive allosteric modulators of the β2 adrenergic receptor identified by screening a DNA-encoded library potentiate the activity of β2 agonists and have application in the treatment of obstructive airway disease, bronchospasm, or pre-term labor.