4-(3-咪唑-1-基丙氧基)苯胺 | 88138-72-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-(3-咪唑-1-基丙氧基)苯胺
• 英文名称: 4-(3-(1H-imidazol-1-yl)propoxy)aniline
• 英文别名: 4-(3-imidazol-1-ylpropoxy)aniline
• CAS: 88138-72-1
• 化学式: C₁₂H₁₅N₃O
• mdl: MFCD11652482
• 分子量: 217.271
• InChiKey: FUFQPMKTPZSCFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 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：
  53.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-咪唑-1-基丙氧基)苯胺 、 3-hydroxy-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione 在 溶剂黄146 作用下， 生成 3-[4-(3-imidazol-1-ylpropoxy)anilino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
  参考文献：
  名称：

  Anilino-monoindolylmaleimides as potent and selective JAK3 inhibitors

  摘要：

  We designed a series of anilino-indoylmaleimides based on structural elements from literature JAK3 inhibitors 3 and 4, and our lead 5. These new compounds were tested as inhibitors of JAKs 1, 2 and 3 and TYK2 for therapeutic intervention in rheumatoid arthritis (RA). Our requirements, based on current scientific rationale for optimum efficacy against RA with reduced side effects, was for potent, mixed JAK1 and 3 inhibition, and selectivity over JAK2. Our efforts yielded a potent JAK3 inhibitor 11d and its eutomer 11e. These compounds were highly selective for inhibition of JAK3 over JAK2 and TYK. The compounds displayed only modest JAK1 inhibition. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.001
• 作为产物：
  描述：

  1-(3-溴丙氧基)-4-硝基苯 在 tin(II) chloride dihdyrate 、 potassium carbonate 作用下， 以 乙酸乙酯 、 乙腈 为溶剂， 生成 4-(3-咪唑-1-基丙氧基)苯胺
  参考文献：
  名称：

  Synthesis and Antileishmanial Evaluation of Arylimidamide–Azole Hybrids Containing a Phenoxyalkyl Linker

  摘要：

  DOI：

  10.1021/acsinfecdis.0c00855

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。
• Synthesis and biological evaluation of azole-diphenylpyrimidine derivatives (AzDPPYs) as potent T790M mutant form of epidermal growth factor receptor inhibitors
  作者：Zhendong Song、Yue Jin、Yang Ge、Changyuan Wang、Jianbin Zhang、Zeyao Tang、Jinyong Peng、Kexin Liu、Yanxia Li、Xiaodong Ma

  DOI：10.1016/j.bmc.2016.09.001

  日期：2016.11

  A series of novel azole-diphenylpyrimidine derivatives (AzDPPYs) were synthesized and biologically evaluated as potent EGFR(T790M) inhibitors. Among these analogues, the most active inhibitor 6e not only displayed high activity against EGFR(T790M/L858R) kinase (IC50 = 33 nM), but also was able to repress the replication of H1975 cells harboring EGFR(T790M) mutation at a concentration of 0.118 mu mol/L. In contrast to the lead compound rociletinib, 6e slightly reduces the key EGFRT790M-minduced drug resistance. Significantly, inhibitor 6e demonstrates high selectivity (SI = 299.3) for T790M-containing EGFR mutants over wild type EGFR, hinting that it will cause less side effects. (C) 2016 Elsevier Ltd. All rights reserved.
• TETRACYCLIC CARBOLINE DERATIVES FOR INHIBITING ANGIOGENESIS
  申请人：PTC Therapeutics, Inc.

  公开号：EP1732543B1

  公开（公告）日：2017-05-10
• 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