3-(2-乙氧基乙氧基)苯胺 | 116998-62-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-(2-乙氧基乙氧基)苯胺
• 英文名称: 3-(2-ethoxyethoxy)aniline
• 英文别名: 3-(2-Aethoxy-aethoxy)-anilin
• CAS: 116998-62-0
• 化学式: C₁₀H₁₅NO₂
• mdl: MFCD08691684
• 分子量: 181.235
• InChiKey: IWVOFNFQYNJRLN-UHFFFAOYSA-N

物化性质

• 沸点：
  111 °C(Press: 0.05 Torr)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  嘧啶,2-氯-4,6-二(4-氯苯基)- 、 3-(2-乙氧基乙氧基)苯胺 在 盐酸 作用下， 以 1,4-二氧六环 、 正丁醇 为溶剂， 反应 1.0h， 以61%的产率得到4,6-bis(4-chlorophenyl)-N-(3-(2-ethoxyethoxy)phenyl)pyrimidin-2-amine
  参考文献：
  名称：

  Fine tuning of 4,6-bisphenyl-2-(3-alkoxyanilino)pyrimidine focusing on the activity-sensitive aminoalkoxy moiety for a therapeutically useful inhibitor of receptor for advanced glycation end products (RAGE)

  摘要：

  Through the fine tuning of the activity-sensitive aminoalkoxy moiety of 4,6-bisphenyl-2-(3-alkoxyanilino)pyrimidine as a novel inhibitor of the receptor for advanced glycation end products (RAGE), the tertiary amine was elucidated as an essential part associated with RAGE inhibition. On the basis of this finding, a 3-(N,N-dimethylamino)pyrrolidine analog 12o was identified as a therapeutically useful RAGE inhibitor with improved activity and solubility. Molecular modeling studies predicted that the improved inhibitory activity is induced by additional hydrogen bonds between the nitrogen atom of the pyrrolidine ring and Arg48 and by an interaction between the dimethylamino-substituent of the pyrrolidine moiety and a relatively hydrophobic groove in the RAGE binding site. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.12.003
• 作为产物：
  描述：

  间硝基苯酚 在 tin(II) chloride dihdyrate 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 6.0h， 生成 3-(2-乙氧基乙氧基)苯胺
  参考文献：
  名称：

  Fine tuning of 4,6-bisphenyl-2-(3-alkoxyanilino)pyrimidine focusing on the activity-sensitive aminoalkoxy moiety for a therapeutically useful inhibitor of receptor for advanced glycation end products (RAGE)

  摘要：

  Through the fine tuning of the activity-sensitive aminoalkoxy moiety of 4,6-bisphenyl-2-(3-alkoxyanilino)pyrimidine as a novel inhibitor of the receptor for advanced glycation end products (RAGE), the tertiary amine was elucidated as an essential part associated with RAGE inhibition. On the basis of this finding, a 3-(N,N-dimethylamino)pyrrolidine analog 12o was identified as a therapeutically useful RAGE inhibitor with improved activity and solubility. Molecular modeling studies predicted that the improved inhibitory activity is induced by additional hydrogen bonds between the nitrogen atom of the pyrrolidine ring and Arg48 and by an interaction between the dimethylamino-substituent of the pyrrolidine moiety and a relatively hydrophobic groove in the RAGE binding site. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.12.003

文献信息

• Heterocyclic compounds as ligands of the GABAA receptor
  申请人：——

  公开号：US20030105081A1

  公开（公告）日：2003-06-05

  Disclosed are heterocyclic compounds of the formula 1 and the pharmaceutically acceptable salts thereof wherein the variables A, V, Y, J, E, X, T, G, Q, W, Z, b, n and m are defined herein. These compounds are highly selective agonists, antagonists or inverse agonists for GABA A brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABA A brain receptor.

  揭示了具有以下公式的杂环化合物及其药用可接受的盐，其中变量A、V、Y、J、E、X、T、G、Q、W、Z、b、n和m在此处被定义。这些化合物是GABA A 脑受体的高度选择性激动剂、拮抗剂或逆激动剂，或者是GABA A 脑受体的激动剂、拮抗剂或逆激动剂的前药。
• [EN] PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS<br/>[FR] DÉRIVÉS DE PIPÉRIDINE ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES MÉTABOLIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012001107A1

  公开（公告）日：2012-01-05

  The invention relates to new piperidine derivatives of the formula (I) to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  本发明涉及一种新的哌啶衍生物，其化学式为（I），以及它们作为药物的用途，它们的治疗用途的方法以及包含它们的制药组合物。
• HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR
  申请人：NEUROGEN CORPORATION

  公开号：EP1325006A2

  公开（公告）日：2003-07-09
• US6653471B2
  申请人：——

  公开号：US6653471B2

  公开（公告）日：2003-11-25
• US6949562B2
  申请人：——

  公开号：US6949562B2

  公开（公告）日：2005-09-27