3-(4-chlorophenylthio)-1-(4-methoxyphenyl)-3-phenylpropan-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 3-(4-chlorophenylthio)-1-(4-methoxyphenyl)-3-phenylpropan-1-one
• 英文别名: 3-(4-Chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
• 化学式: C₂₂H₁₉ClO₂S
• 分子量: 382.911
• InChiKey: MROSIJNZIIYSDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯甲醛 在 potassium tert-butylate 作用下， 以 叔丁醇 为溶剂， 生成 3-(4-chlorophenylthio)-1-(4-methoxyphenyl)-3-phenylpropan-1-one
  参考文献：
  名称：

  轻度和高效的一锅三组分反应，叔丁醇钾催化的碳-硫键形成

  摘要：

  已发现叔丁醇钾是一种高效催化剂，可通过克莱森-施密特/迈克尔加成反应通过一锅，三组分反应芳基醛，苯乙酮和硫醇，从而高产率地合成噻吩-迈克尔加合物。反应最好在室温下在叔丁醇中进行。

  DOI：

  10.1016/j.cclet.2011.05.015

文献信息

• Design and synthesis of 1,3-biarylsulfanyl derivatives as new anti-breast cancer agents
  作者：Atul Kumar、Vishwa Deepak Tripathi、Promod Kumar、Lalit Prakash Gupta、Akanksha、Ritu Trivedi、Hemant Bid、V.L. Nayak、Jawed A. Siddiqui、Bandana Chakravarti、Ruchi Saxena、Anila Dwivedi、M.I. Siddiquee、U. Siddiqui、Rituraj Konwar、Naibedya Chattopadhyay

  DOI：10.1016/j.bmc.2011.07.056

  日期：2011.9

  A new series of 1,3-biarylsulfanyl derivatives (homodibenzyl core motif) have been designed and synthesized as new estrogen receptor ligands by chopping benzothiophene core of raloxifene to engender secoraloxifene scaffold. All the synthesized compounds were screened for anti-proliferative, anti-osteoporotic, and anti-implantation activity. Compounds (35, 36) having basic amino anti-estrogenic side chain were exhibiting potential anti-proliferative activity in MCF-7, MDA-MB-231 and ishikawa cell lines. Some of the synthesized compounds having homodibenzyl motif (5, 8, 10) have shown moderate anti-osteoporotic activity. (C) 2011 Elsevier Ltd. All rights reserved.
• Multicomponent, solvent-free synthesis of β-aryl-β-mercapto ketones using zirconium chloride as a catalyst
  作者：Atul Kumar、Akanksha

  DOI：10.1016/j.tetlet.2007.10.023

  日期：2007.12

  Zirconium chloride efficiently catalyzes the one-pot, three-component reaction of an aryl aldehyde, cyclic or acyclic enolizable ketones, and thiols under solvent-free conditions at room temperature to afford the corresponding beta-aryl-beta-mercaptoketones via aldol-Michael addition reactions. This methodology affords a large number of beta-aryl-beta-mercapto ketone derivatives in high yields and in short reaction times. (c) 2007 Elsevier Ltd. All rights reserved.
• Methods for Screening Interleukin-6 (IL-6) Signal Transduction Inhibitors
  申请人：Kitamura Toshio

  公开号：US20090280483A1

  公开（公告）日：2009-11-12

  The present invention provides methods for screening compounds which inhibit activation of a member of the IL-6 signaling pathways, comprising: (a) a positive screening step using a cell capable of being killed by IL-6 stimulation to select compounds which inhibit death of the cell when it is stimulated by IL-6; and then (b) a biochemical screening step to further select compounds which inhibit activation of a member of the IL-6 signaling pathways by a biochemical means from the compounds selected in step (a). The present invention also provides compounds which inhibit activation of a member of the IL-6 signaling pathways identified using said methods.