1-(2-溴乙氧基)-4-甲氧基萘 | 99894-02-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-(2-溴乙氧基)-4-甲氧基萘
• 英文名称: 1-(2-Bromethoxy)-4-methoxynaphthalin
• 英文别名: 1-(2-bromoethoxy)-4-methoxynaphthalene
• CAS: 99894-02-7
• 化学式: C₁₃H₁₃BrO₂
• 分子量: 281.149
• InChiKey: IDPMOEUQMUXBSD-UHFFFAOYSA-N

物化性质

• 沸点：
  394.1±22.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-溴乙氧基)-4-甲氧基萘 在 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以91%的产率得到1-(2-Iodethoxy)-4-methoxynaphthalin
  参考文献：
  名称：

  Laatsch, Hartmut, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1985, vol. 40, # 4, p. 534 - 542

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-二羟基萘 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.28h， 生成 1-(2-溴乙氧基)-4-甲氧基萘
  参考文献：
  名称：

  Laatsch, Hartmut, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1985, vol. 40, # 4, p. 534 - 542

  摘要：

  DOI：

文献信息

• New Serotonin 5-HT_1A Receptor Agonists Endowed with Antinociceptive Activity <i>in Vivo</i>
  作者：Margarita Valhondo、Isabel Marco、Mar Martín-Fontecha、Henar Vázquez-Villa、José A. Ramos、Reinhard Berkels、Thomas Lauterbach、Bellinda Benhamú、María L. López-Rodríguez

  DOI：10.1021/jm400766k

  日期：2013.10.24

  We report the synthesis of new compounds 4-35 based on two different openings (A and B) of the chromane ring present in the previously identified 5-HT1A receptor (5-HT1AR) ligand 3. The synthesized compounds were assessed for binding affinity, selectivity, and functional activity at the 5-HT1AR Selected candidates resulting from B opening were also evaluated for their potential antinociceptive effect in vivo and pharmacokinetic properties in vitro. Analogue 19 [2-(4-[2-(2-ethoxyphenoxy)ethyl]amino}butyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione] has been characterized as a high-affinity and potent 5-HT1AR agonist (K-i = 2.3 nM; EC50 = 19 nM). Pharmacokinetic studies indicated that compound 19 displays a good metabolic stability in human liver microsomes (t(1/2) similar to 3 h and CLint = 3.5 mL/min/kg, at 5 mu M), and a low level of protein binding (25%, at 5 mu M). Interestingly, 19 (3 mg/kg, ip, and 30 mg/kg, po) caused significant attenuation of formalin-induced behavior in early and late phases of the mouse intradermal formalin test of pain, and this in vivo effect was reversed by the selective 5-HT1AR antagonist WAY-100635. Thus, the new 5-HT1AR agonist identified in this work, 19, exhibits oral analgesic activity, and the results herein represent a step toward identifying new therapeutics for the control of pain.
• LAATSCH, H., Z. NATURFORSCH., 1985, 40, N 4, 534-542
  作者：LAATSCH, H.

  DOI：——

  日期：——
• [EN] ALKYLPIPERIDI NYLBENZO [D] ISOXAZOLE DERIVATIVES HAVING PSYCHOTROPIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT<br/>[FR] DERIVES D'ALKYPIPERIDI NYLBENZO [D] ISOXAZOLE PRESENTANT UNE ACTIVITE PSYCHOTROPE, COMPOSITIONS PHARMACEUTIQUES CONTENANT CES DERNIERS, ET PROCEDE DE PREPARATION DE L'INGREDIENT ACTIF
  申请人：EGYT GYOGYSZERVEGYESZETI GYAR

  公开号：WO2001017993A1

  公开（公告）日：2001-03-15

  The invention refers to novel alkylpiperidinylbenzo[d]isoxazole derivatives of formula (I), pharmaceutical compositions containing the same, and a process for the preparation of the active ingredient. The compounds of the invention exert action on the central nervous system, and have, primarily, psychotropic activity.
• Laatsch, Hartmut, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1985, vol. 40, # 4, p. 534 - 542
  作者：Laatsch, Hartmut

  DOI：——

  日期：——