1-(3-chlorophenyl)-3-(phenylthio)-3-p-tolylpropan-1-one | 1338349-88-4

• 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: 1-(3-chlorophenyl)-3-(phenylthio)-3-p-tolylpropan-1-one
• 英文别名: 1-(3-Chlorophenyl)-3-(4-methylphenyl)-3-phenylsulfanylpropan-1-one
• CAS: 1338349-88-4
• 化学式: C₂₂H₁₉ClOS
• 分子量: 366.911
• InChiKey: RETHZZNFLLDIOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氯苯乙酮 在 氯化锆(IV) 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 1-(3-chlorophenyl)-3-(phenylthio)-3-p-tolylpropan-1-one
  参考文献：
  名称：

  Design and synthesis of 1,3-biarylsulfanyl derivatives as new anti-breast cancer agents

  摘要：

  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.

  DOI：

  10.1016/j.bmc.2011.07.056

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.