3-(3-甲氧基-4-甲基苯基)丙酸 | 67199-60-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 3-(3-甲氧基-4-甲基苯基)丙酸
• 英文名称: 3-(3-methoxy-4-methylphenyl)propanoic acid
• 英文别名: 3-(3-methoxy-4-methyl-phenyl)-propionic acid；3-(3-Methoxy-4-methyl-phenyl)-propionsaeure
• CAS: 67199-60-4
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD00714176
• 分子量: 194.23
• InChiKey: ZXEHNTZXCROZOP-UHFFFAOYSA-N

物化性质

• 熔点：
  82-83 °C(Solv: ethanol (64-17-5))
• 沸点：
  327.1±27.0 °C(Predicted)
• 密度：
  1.118±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  3-(3-甲氧基-4-甲基苯基)丙酸 在 lithium aluminium tetrahydride 、 PPA 作用下， 以 乙醚 为溶剂， 生成 5-Methoxy-6-methylindanol
  参考文献：
  名称：

  Beitr�ge zur Konformationsanalyse der Aryl?Methoxy-Bindung

  摘要：

  DOI：

  10.1007/bf00906359
• 作为产物：
  描述：

  4-甲基-3-硝基苯甲醛 在 哌啶 、 吡啶 、 盐酸 、 乙醇 、 alkaline solution 、 硼酸 、 sodium carbonate 、 铂 作用下， 生成 3-(3-甲氧基-4-甲基苯基)丙酸
  参考文献：
  名称：

  An Investigation of the Mills-Nixon Effect

  摘要：

  DOI：

  10.1021/ja01301a066

文献信息

• Bicyclic inhibitors of protein farnesyl transferase
  申请人：Warner-Lambert Company

  公开号：US06133303A1

  公开（公告）日：2000-10-17

  The present invention provides compounds of Formula (I). The present invention also provides a method of treating cancer and treating or preventing restenosis or atherosclerosis. Also provided by the present invention is a pharmaceutically acceptable composition containing a compound of Formula (I). ##STR1##

  本发明提供了化合物的结构式(I)。本发明还提供了一种治疗癌症、治疗或预防再狭窄或动脉粥样硬化的方法。本发明还提供了含有结构式(I)化合物的药学上可接受的组合物。
• Carboxylic acid derivatives that inhibit the binding of integrins to their receptors
  申请人：Biediger J. Ronald

  公开号：US20060276476A1

  公开（公告）日：2006-12-07

  A method for the inhibition of the binding of α 4 β 1 integrin to its receptors, for example VCAM-1 (vascular cell adhesion molecule-1) and fibronectin; compounds that inhibit this binding; pharmaceutically active compositions comprising such compounds; and to the use of such compounds either a above, or in formulations for the control or prevention of diseases states in which α 4 β 1 is involved.

  一种抑制α4β1整合素与其受体（例如VCAM-1（血管细胞黏附分子-1）和纤维连接蛋白）结合的方法；抑制这种结合的化合物；包含这种化合物的药物活性组合物；以及使用这种化合物的用途，无论是以上述方式还是在制剂中用于控制或预防α4β1参与的疾病状态。
• Synthesis and pharmacological examination of 1-(3-methoxy-4-methylphenyl)-2-aminopropane and 5-methoxy-6-methyl-2-aminoindan: similarities to 3,4-(methylenedioxy)methamphetamine (MDMA)
  作者：Michael P. Johnson、Stewart P. Frescas、Robert Oberlender、David E. Nichols

  DOI：10.1021/jm00109a020

  日期：1991.5

  The racemate and the enantiomers of 1-(3-methoxy-4-methylphenyl)-2-aminopropane (6) and racemic 5-methoxy-6-methyl-2-aminoindan (11) were tested for stimulus generalization in the two-lever drug-discrimination paradigm. Both 6 and 11 were found to substitute with high potency in 3,4-(methylenedioxy)methamphetamine (1) and (S)-1-(1,3-benzodioxol-5-yl)-2-(methylamino)butane (2) trained rats. In the latter assay, both enantiomers of 6 had identical potencies, but their dose-response curves were not parallel. Racemic 6, but not 11, partially substituted for LSD. Racemic 6 and 11 did not substitute in (S)-amphetamine-trained rats. All of the test compounds were potent inhibitors of [H-3]-5-HT uptake into synaptosomes in vitro, with the S enantiomer of 6 being most active. Rat brain monoamine levels were unaltered 1 week following a single high dose (10 or 20 mg/kg, sc) of 6 or 11, or two weeks following a subacute dosing regimen (20 mg/kg, sc, twice a day for 4 days). In addition, radioligand-binding parameters in rat brain homogenate with the 5-HT uptake inhibitor [H-3]proxetine were unchanged after subacute dosing with either racemic 6 or 11. The results indicate that compounds 6 and 11 have animal behavioral pharmacology similar to the methylenedioxy compounds 1 and 2, but that they do not induce the serotonin neurotoxicity that has been observed for the latter two drugs.
• JOHNSON, MICHAEL P.;FRESCAS, STEWART P.;OBERLENDER, ROBERT;NICHOLS, DAVID+, J. MED. CHEM., 34,(1991) N, C. 1662-1668
  作者：JOHNSON, MICHAEL P.、FRESCAS, STEWART P.、OBERLENDER, ROBERT、NICHOLS, DAVID+

  DOI：——

  日期：——
• BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE
  申请人：Warner-Lambert Company LLC

  公开号：EP0966446B1

  公开（公告）日：2005-10-19