3-(4-Methyl-1H-imidazol-1-yl)benzenamine | 138830-48-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-Methyl-1H-imidazol-1-yl)benzenamine
• 英文别名: 3-(4-methyl-1H-imidazol-1-yl)aniline；3-(4-methylimidazol-1-yl)-phenylamine；N-(3-aminophenyl)-4-methylimidazole；3-(4-methylimidazol-1-yl)-aniline；3-(4-methylimidazol-1-yl)aniline
• CAS: 138830-48-5
• 化学式: C₁₀H₁₁N₃
• 分子量: 173.217
• InChiKey: XZAWNZXQVQUGCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-Methyl-1H-imidazol-1-yl)benzenamine 、 芴-1-羧酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以29.2%的产率得到N-[3-(4-methylimidazol-1-yl)-phenyl]-9H-fluorene-1-carboxamide
  参考文献：
  名称：

  Amide compounds

  摘要：

  本发明是一种化合物和药物组合物，包括式(I)的化合物：其中R1是4-(较低)烷基-咪唑-1-基或4,5-二(较低)烷基-咪唑-1-基基团，R2是氢原子或较低烷基基团，R3是芴基团。式(I)的化合物包括药用可接受的盐：式(I)的化合物及其盐具有5-HT拮抗活性。

  公开号：

  US06770667B1
• 作为产物：
  描述：

  1-碘-3-硝基苯 在 copper(I) oxide 、 tin(II) chloride dihdyrate 、 4,7-二甲氧基-1,10-菲咯啉 、 caesium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 3-(4-Methyl-1H-imidazol-1-yl)benzenamine
  参考文献：
  名称：

  Synthesis and biological evaluation of analogues of the kinase inhibitor nilotinib as Abl and Kit inhibitors

  摘要：

  The importance of the trifluoromethyl group in the polypharmacological profile of nilotinib was investigated. Molecular editing of nilotinib led to the design, synthesis and biological evaluation of analogues where the trifluoromethyl group was replaced by a proton, fluorine and a methyl group. While these analogues were less active than nilotinib toward Abl, their activity toward Kit was comparable, with the monofluorinated analogue being the most active. Docking of nilotinib and of analogues 2a-c to the binding pocket of Abl and of Kit showed that the lack of shape complementarity in Kit is compensated by the stabilizing effect from its juxtamembrane region. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.11.111

文献信息

• N-coating heterocyclic compounds
  申请人：——

  公开号：US20030176454A1

  公开（公告）日：2003-09-18

  A compound of the formula (I): wherein A is a hydrogen atom, an optionally substituted, unsaturated, N-containing heterocyclic group or a group of the formula (a): wherein R is an optionally substituted aryl group or an optionally substituted heterocyclic group; M is —(CH 2 )n-, —(CH 2 )n-O—(CH 2 )m-or —(CH 2 )n-NH—(CH 2 )m-, wherein n and m are independently 0, 1 or 2; Q is an optionally substituted cycloalkylene group, an optionally substituted arylene group or an optionally substituted divalent heterocyclic group; and the moiety of the formula (b): is an optionally substituted, unsaturated, mono-, di-, tri- or tetra-cyclic, N-containing heterocyclic group which may contain additional hetero atom(s) selected from the group consisting of nitrogen, oxygen and sulfur atoms as the ring member(s), its prodrug or a pharmaceutically acceptable salt thereof.

  公式(I)的化合物：其中A是氢原子，一个可选地取代的、不饱和的、含氮的杂环基团，或者公式(a)的基团：其中R是一个可选地取代的芳香族基团或者一个可选地取代的杂环基团；M是—(CH2)n-, —(CH2)n-O—(CH2)m-或—(CH2)n-NH—(CH2)m-，其中n和m各自为0、1或2；Q是一个可选地取代的环烷基烯基团、一个可选地取代的芳香族基团或者一个可选地取代的二价杂环基团；以及公式(b)的部分：是一个可选地取代的、不饱和的、单环、双环、三环或四环的、含氮的杂环基团，它可以包含作为环成员的额外杂原子，选自由氮、氧和硫原子组成的组，其前药或药用盐。
• Bis-aryl amide and urea antagonists of platelet activating factor
  申请人：American Cyanamid Company

  公开号：US05128351A1

  公开（公告）日：1992-07-07

  Bis-aryl amide and urea compounds of the general formula: ##STR1## wherein X is a divalent amide or urea substituent and Y is a nitrogen containing heterocycle, which compounds are inhibitors of platelet activating factor. Pharmaceutical compositions containing the compounds and methods of treating platelet activating factor associated conditions are also included.

  一般公式为：其中 X 是双价酰胺或尿素取代基，Y 是含氮杂环的双芳基酰胺和尿素化合物，这些化合物是血小板活化因子的抑制剂。还包括含有这些化合物的药物组合物和治疗血小板活化因子相关疾病的方法。
• Method of making certain aryl containing amides
  申请人：American Cyanamid Company

  公开号：US05231182A1

  公开（公告）日：1993-07-27

  Methods of preparing bis-aryl amide and urea compounds of the general formula: ##STR1## wherein x is a divalent amide or urea substituent and Y is a nitrogen containing heterocycle, which compounds are inhibitors of platelet activating factor.

  制备一般式为##STR1##的双芳基酰胺和脲化合物的方法：其中x是二价酰胺或脲取代基，Y是含氮杂环，这些化合物是血小板活化因子抑制剂。
• Bis-aryl amide antagonists of platelet activating factor
  申请人：American Cyanamid Company

  公开号：US05225425A1

  公开（公告）日：1993-07-06

  Bis-aryl amide and urea compounds of the general formula: ##STR1## wherein X is a divalent amide or urea substituent and Y is a nitrogen containing heterocycle, which compounds are inhibitors of platelet activating factor. Pharmaceutical compositions containing the compounds and methods of treating platelet activating factor associated conditions are also included.

  该专利描述了一种抑制血小板活化因子的化合物，其通式为：##STR1## 其中X为二价酰胺或脲取代基，Y为含氮杂环。本专利还涵盖了包含该化合物的制药组合物和治疗血小板活化因子相关疾病的方法。
• Method of preparing bis-aryl amide and urea antagonists of platelet
  申请人：American Cyanamid Company

  公开号：US05077409A1

  公开（公告）日：1991-12-31

  Methods of preparing bis-aryl amide and urea compounds of the general formula: ##STR1## wherein x is a divalent amide or urea substituent and Y is a nitrogen containing heterocycle, which compounds are inhibitors of platelet activating factor.

  制备一般式为：##STR1## 其中x为双价酰胺或尿素取代基，Y为含氮杂环的受体激活因子抑制剂的双芳基酰胺和尿素化合物的方法。