2-[(4-甲氧基苯基)甲基]吡唑-3,4-二胺 | 157469-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-[(4-甲氧基苯基)甲基]吡唑-3,4-二胺
• 英文名称: 1-(4-methoxybenzyl)-1H-pyrazole-4,5-diamine
• 英文别名: 4,5-diamino-1-(4'-methoxybenzyl)-1H-pyrazole；4,5-diamino-1-(4-methoxy-benzyl)pyrazole；1H-Pyrazole-4,5-diamine, 1-[(4-methoxyphenyl)methyl]-；2-[(4-methoxyphenyl)methyl]pyrazole-3,4-diamine
• CAS: 157469-53-9
• 化学式: C₁₁H₁₄N₄O
• 分子量: 218.258
• InChiKey: GPXLFGOJNUIOEG-UHFFFAOYSA-N

物化性质

• 沸点：
  462.2±40.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  79.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(4-甲氧基苯基)甲基]吡唑-3,4-二胺 在 盐酸 、 tin(II) chloride dihdyrate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成 N-(4-(5-amino-1-(4-methoxybenzyl)-1H-pyrazol-4-ylcarbamoyl)-3-methylphenyl)benzo[b]thiophene-2-carboxamide
  参考文献：
  名称：

  Structure based design and syntheses of amino-1H-pyrazole amide derivatives as selective Raf kinase inhibitors in melanoma cells

  摘要：

  The synthesis of a novel series of N-(5-amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl amide derivatives 6a-o, 7a-s and their antiproliferative activities against A375P melanoma cell line were described. Most compounds showed competitive antiproliferative activities to sorafenib, the reference standard. Among them, N-(5-amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-5-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-2-methylbenzamide 7c exhibited potent activities (GI(50) = 0.27 mu M). Especially, 7c was found to be a potent and selective B-Raf V600E and C-Raf inhibitor (IC50 = 0.26 mu M, IC50 = 0.11 mu M, respectively), showing a possibility as melanoma therapeutics. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.067
• 作为产物：
  描述：

  (4-甲氧苯基)肼盐酸盐 在 盐酸 、 tin(II) chloride dihdyrate 、 sodium nitrite 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 3.75h， 生成 2-[(4-甲氧基苯基)甲基]吡唑-3,4-二胺
  参考文献：
  名称：

  Structure based design and syntheses of amino-1H-pyrazole amide derivatives as selective Raf kinase inhibitors in melanoma cells

  摘要：

  The synthesis of a novel series of N-(5-amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl amide derivatives 6a-o, 7a-s and their antiproliferative activities against A375P melanoma cell line were described. Most compounds showed competitive antiproliferative activities to sorafenib, the reference standard. Among them, N-(5-amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-5-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-2-methylbenzamide 7c exhibited potent activities (GI(50) = 0.27 mu M). Especially, 7c was found to be a potent and selective B-Raf V600E and C-Raf inhibitor (IC50 = 0.26 mu M, IC50 = 0.11 mu M, respectively), showing a possibility as melanoma therapeutics. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.067

文献信息

• Agent and method for colouring keratin fibres
  申请人：——

  公开号：US20020189029A1

  公开（公告）日：2002-12-19

  The present application relates to a preparation for dyeing keratin fibers which, before use, is mixed with an oxidizing agent and wherein a combination of at least one 4,5-diaminopyrazole derivative of the general formula (II) or its physiologically compatible salts and 1 at least one phenylurea derivative of the general formula (I) or its physiologically compatible salts 2 is contained in a suitable cosmetic carrier, as well as a method for dyeing hair using this preparation.

  本申请涉及一种用于染色角蛋白纤维的制剂，该制剂在使用前与氧化剂混合，其中组合中至少含有一种4,5-二氨基吡唑醚衍生物的一般式（II）或其生理相容盐和至少含有一种苯基脲衍生物的一般式（I）或其生理相容盐，这些成分含在适当的化妆品载体中，以及使用该制剂染发的方法。
• Composition for oxidation dyeing of keratinous fibres comprising an amino pyrazole and a mineral compound
  申请人：——

  公开号：US20040074014A1

  公开（公告）日：2004-04-22

  The present invention relates to a composition for the oxidation dyeing of keratin fibres, in particular of human keratin fibres such as the hair, comprising at least one oxidation base chosen from 4,5- or 3,4-diaminopyrazoles and triaminopyrazoles, in combination with at least one selected mineral compound, and also to the dyeing process using this composition with an oxidizing agent.

  本发明涉及一种用于氧化染色角蛋白纤维，特别是人类角蛋白纤维（如头发）的组合物，包括至少选择自4,5-或3,4-二氨基吡唑和三氨基吡唑中的至少一种氧化碱，与至少一种选定的矿物化合物结合，以及使用这种组合物与氧化剂进行染色的染色过程。
• Composition for oxidation dyeing of keratinous fibres comprising at least a 4,5 or 3,4-diamino pyrazole or a triamino pyrazole and at least a particular cellulose compound, and dyeing method
  申请人：——

  公开号：US20040237219A1

  公开（公告）日：2004-12-02

  The present invention relates to a composition for the oxidation dyeing of keratin fibres, in particular of human keratin fibres such as the hair, comprising at least one oxidation base chosen from 4,5- or 3,4-diaminopyrazoles and triaminopyrazoles, in combination with at least one particular cellulose-based compound, and also to the dyeing process using this composition with an oxidizing agent.

  本发明涉及一种用于氧化染色角蛋白纤维，特别是人类角蛋白纤维如头发的组合物，包括至少选择自4,5-或3,4-二氨基吡唑和三氨基吡唑中的至少一种氧化碱，结合至少一种特定的基于纤维素的化合物，以及使用含有氧化剂的该组合物进行染色的方法。
• Composition for the oxidation dyeing of keratinous fibres comprising a diamino pyrazole and a carbonyl compound
  申请人：——

  公开号：US20040088800A1

  公开（公告）日：2004-05-13

  The present invention relates to a composition for the oxidation dyeing of keratin fibres, in particular of human keratin fibres such as the hair, comprising at least one oxidation base chosen from 4,5- or 3,4-diaminopyrazoles and triaminopyrazoles, in combination with at least one selected carbonyl compound, and also to the dyeing process using this composition with an oxidizing agent.

  本发明涉及一种用于氧化染色角蛋白纤维的组合物，特别是人类角蛋白纤维，如头发，包括至少选自4,5-或3,4-二氨基吡唑和三氨基吡唑的氧化碱，与至少一种选择的羰基化合物结合，以及使用含有氧化剂的该组合物进行染色的过程。
• Cationic azacyanine dyes and coloring agents containing said dyes
  申请人：Javet Manuela

  公开号：US20070220685A1

  公开（公告）日：2007-09-27

  The present invention relates to agents containing cationic azacyanine dyes having formula (I) for dyeing fibers, such as, for example, keratin fibers, wool, silk or fleeces, and in particular human hair, as well as to new asymmetrical azacyanine dyes.

  本发明涉及含有带正电的氮杂青烷染料的制剂，其化学式为(I)，用于染色纤维，例如角蛋白纤维、羊毛、丝绸或羊毛绒等，特别是人类头发，同时也涉及新的非对称氮杂青烷染料。