1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)propane | 52145-93-4

• 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-(4-hydroxyphenyl)-3-(4-methoxyphenyl)propane
• 英文别名: 4-[3-(4-methoxyphenyl)propyl]phenol
• CAS: 52145-93-4
• 化学式: C₁₆H₁₈O₂
• 分子量: 242.318
• InChiKey: QDMJQCMUSFNVCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)propane 在 碘苯二乙酸 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以30%的产率得到7'-methoxy-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-naphthalene]-2,5-dien-4-one
  参考文献：
  名称：

  与高价有机碘化合物（二乙酰氧基碘）苯的苯酚氧化偶联

  摘要：

  描述了作为酚类氧化偶联剂的（二乙酰氧基碘）苯。

  DOI：

  10.1016/s0040-4039(00)88804-8
• 作为产物：
  描述：

  4'-羟基-4-甲氧基查耳酮 在 硫酸 、 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 60.0 ℃ 、413.69 kPa 条件下， 反应 4.0h， 以92.4%的产率得到1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)propane
  参考文献：
  名称：

  Synthesis, biological evaluation, and docking studies of gigantol analogs as calmodulin inhibitors

  摘要：

  Several analogs of gigantol (1) were synthesized to evaluate their effect on the complexes Ca(2+)-calmodulin (CaM) and Ca(2+)-CaM-CaM sensitive phosphodiesterase 1 (PDE1). The compounds belong to four structural groups including, 1,2-diphenylethanes (2-11), diphenylmethanes (13-15), 1,3-diphenylpropenones (16-18), and 1,3-diphenylpropanes (20-22). In vitro enzymatic studies showed that all compounds except 11 inhibited the complex Ca(2+)-CaM-PDE1 with IC(50) values ranging from 9 to 146 mu M. On the other hand, all analogs but 11,12 and 15 quenched the extrinsic fluorescence of the CaM biosensor hCaM-M124C-mBBr to different extent, then revealing different affinities to CaM; their affinity constants (K(m)) values were in the range of 3-80 mu M. Molecular modeling studies indicated that all these compounds bound to CaM at the same site that the classical inhibitors trifluoperazine (TFP) and chlorpromazine (CPZ). Some of these analogs could be worthy candidates for developing new anti-tumor, local anesthetics, antidepressants, antipsychotic, or smooth muscle relaxant drugs, with anti-CaM properties due to their good affinity to CaM and the straightforwardness of their synthesis. In addition they could be valuable tools for the study of Ca(2+)-CaM functions. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.057

文献信息

• Afzal, Jalees; Magarian, Robert A.; Griffin, May, Synthetic Communications, 1989, vol. 19, # 17, p. 3061 - 3068
  作者：Afzal, Jalees、Magarian, Robert A.、Griffin, May、Pento, J. Thomas

  DOI：——

  日期：——
• AFZAL, JALEES;MAGARIAN, ROBERT A.;GRIFFIN, MAY;PENTO, J. THOMAS, SYNTH. COMMUN., 19,(1989) N7, C. 3061-3068
  作者：AFZAL, JALEES、MAGARIAN, ROBERT A.、GRIFFIN, MAY、PENTO, J. THOMAS

  DOI：——

  日期：——
• KRISHNA, K. V. RAMA;SUJATHA, K.;KAPIL, R. S., TERAHEDRON LETT., 31,(1990) N, C. 1351-1352
  作者：KRISHNA, K. V. RAMA、SUJATHA, K.、KAPIL, R. S.

  DOI：——

  日期：——