aminodurenol | 46010-72-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: aminodurenol
• 英文别名: 4-Amino-2,3,5,6-tetramethyl-phenol；2,3,5,6-tetramethyl-4-hydroxyaniline；2,3,5,6-tetramethyl-4-aminophenol；4-Amino-2,3,5,6-tetramethylphenol
• CAS: 46010-72-4
• 化学式: C₁₀H₁₅NO
• mdl: MFCD20693550
• 分子量: 165.235
• InChiKey: DWBNIXZFTOIVND-UHFFFAOYSA-N

物化性质

• 熔点：
  175-179 °C
• 沸点：
  316.5±30.0 °C(Predicted)
• 密度：
  1.064±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  aminodurenol 在 lithium aluminium tetrahydride 、 乙酸酐 作用下， 以 四氢呋喃 为溶剂， 反应 2.17h， 生成 2,3,5,6-Tetramethyl-4-(methylamino)phenol
  参考文献：
  名称：

  Photocontrollable Peroxynitrite Generator Based on N-Methyl-N-nitrosoaminophenol for Cellular Application

  摘要：

  We designed and synthesized a photocontrollable peroxynitrite (ONOO-) generator, P-NAP, which has N-methyl-N-nitrosoaminophenol structure with four methyl groups photodecomposition product with ONOO- and to lower the introduced onto the benzene ring to block reaction of the semiquinoneimine's redox potential. The semiquinoneimine intermediate generated by photoinduced release of nitric oxide (NO) reduces dissolved molecular oxygen to generate superoxide radical anion (O-2(center dot-)), which reacts with NO to afford ONOO- under diffusion control (k = 6.7 X 10(9) M-1 s(-1)). NO release from P-NAP under UV-A (330-380 nm) irradiation was confirmed by ESR spin trapping. Tyrosine nitration, characteristic of ONOO-, was demonstrated by HPLC analysis of a photoirradiated aqueous solution of P-NAP and N-acetyl-L-tyrosine ethyl ester. ONOO- formation was confirmed with a ONOO--specific fluorogenic probe, HKGreen-3, and compared with that from 3-(4-morpholinyl)sydnonimine hydrochloride (SIN-1), which is the most widely used ONOO- generator at present. The photoreaction of P-NAP was influenced by superoxide dismutase, indicating that generation of O-2(center dot-) occurs before ONOO- formation. The quantum yield for formation of duroquinone, the main P-NAP photodecomposition product, was measured as 0.86 +/- 0.07 at 334 nm with a potassium ferrioxalate actinometer. Generation of ONOO- from P-NAP in HCT-116 cells upon photoirradiation was successfully imaged with HKGreen-3A. This is the first example of a photocontrollable ONOO- donor applicable to cultured cells.

  DOI：

  10.1021/ja206744z
• 作为产物：
  描述：

  1-溴-2,3,5,6-四甲基-4-硝基苯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 氢气 、 potassium hydroxide 、 2-二-叔丁膦基-2',4',6'-三异丙基联苯 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 38.0h， 生成 aminodurenol
  参考文献：
  名称：

  Photocontrollable Peroxynitrite Generator Based on N-Methyl-N-nitrosoaminophenol for Cellular Application

  摘要：

  We designed and synthesized a photocontrollable peroxynitrite (ONOO-) generator, P-NAP, which has N-methyl-N-nitrosoaminophenol structure with four methyl groups photodecomposition product with ONOO- and to lower the introduced onto the benzene ring to block reaction of the semiquinoneimine's redox potential. The semiquinoneimine intermediate generated by photoinduced release of nitric oxide (NO) reduces dissolved molecular oxygen to generate superoxide radical anion (O-2(center dot-)), which reacts with NO to afford ONOO- under diffusion control (k = 6.7 X 10(9) M-1 s(-1)). NO release from P-NAP under UV-A (330-380 nm) irradiation was confirmed by ESR spin trapping. Tyrosine nitration, characteristic of ONOO-, was demonstrated by HPLC analysis of a photoirradiated aqueous solution of P-NAP and N-acetyl-L-tyrosine ethyl ester. ONOO- formation was confirmed with a ONOO--specific fluorogenic probe, HKGreen-3, and compared with that from 3-(4-morpholinyl)sydnonimine hydrochloride (SIN-1), which is the most widely used ONOO- generator at present. The photoreaction of P-NAP was influenced by superoxide dismutase, indicating that generation of O-2(center dot-) occurs before ONOO- formation. The quantum yield for formation of duroquinone, the main P-NAP photodecomposition product, was measured as 0.86 +/- 0.07 at 334 nm with a potassium ferrioxalate actinometer. Generation of ONOO- from P-NAP in HCT-116 cells upon photoirradiation was successfully imaged with HKGreen-3A. This is the first example of a photocontrollable ONOO- donor applicable to cultured cells.

  DOI：

  10.1021/ja206744z

文献信息

• PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF
  申请人：Liu Changling

  公开号：US20130225585A1

  公开（公告）日：2013-08-29

  Disclosed is a pyrazole amide compound having fungicidal activity, with a structure shown by the general formula (I): Each of the substituents of the compound being defined as in the description. The compound of the present invention has fungicidal activity, and excellent prevention and controlling effects on diseases, such as cucumber downy mildew, corn rust, wheat powdery mildew, rice blast, etc., and in particular, a better prevention and controlling effect on cucumber downy mildew and corn rust. Also disclosed is a process for preparing the compound, a fungicidal composition containing the compound of general formula (I) and the use thereof in preventing and controlling disease in crops.

  本发明揭示了一种具有杀真菌活性的吡唑酰胺化合物，其结构由通式（I）所示：化合物的每个取代基均如描述中所定义。本发明的化合物具有杀真菌活性，并对瓜类霜霉病、玉米锈病、小麦白粉病、水稻稻瘟等疾病具有优异的预防和控制效果，尤其对瓜类霜霉病和玉米锈病有更好的预防和控制效果。还公开了一种制备该化合物的方法，含有通式（I）化合物的杀真菌组合物以及其在农作物疾病预防和控制中的应用。
• Quinazoline derivatives as antitumor agents
  申请人：Hennequin Francois Andre Laurent

  公开号：US20070082921A1

  公开（公告）日：2007-04-12

  The invention concerns quinazoline derivatives of Formula (I); wherein each of Q<1>, Q<2>, Z, R<1>, R<2>, R<3>, and m have any of the meanings defined in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of tumours which are sensitive to inhibition of erbB receptor tyrosin kinases.

  本发明涉及式(I)的喹唑啉衍生物；其中Q <1>，Q <2>，Z，R <1>，R <2>，R <3>和m中的每一个都具有描述中定义的任何含义；它们的制备过程，包含它们的制药组合物以及它们在制造对erbB受体酪氨酸激酶抑制敏感的肿瘤的预防或治疗药物中的用途。
• 4-ANILINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS
  申请人：Barlaam Bernard Christophe

  公开号：US20100222344A1

  公开（公告）日：2010-09-02

  A quinazoline derivative of the Formula (I): wherein the substituents are as defined in the text for use in the production of an anti-proliferative effect which effect is produced alone or in part by inhibiting erbB2 receptor tyrosine kinase in a warm-blooded animal such as man.

  一种喹唑啉衍生物，其化学式为（I），其中取代基如文本中所定义，用于在温血动物（例如人）中产生抗增殖效应，该效应完全或部分通过抑制erbB2受体酪氨酸激酶来产生。
• Procédé de teinture des fibres kératiniques associant l'isatine ou ses dérivés à une aniline tri-, tétra- ou pentasubstituée ou à une bis-phénylalkylènediamine, et agents de teinture
  申请人：L'OREAL

  公开号：EP0502784A1

  公开（公告）日：1992-09-09

  L'invention concerne un procédé de teinture des fibres kératiniques, comprenant l'application simultanée ou séquentielle d'un composant (A) renfermant au moins un composé de formule (I): dans laquelle :    R₁ désigne hydrogène, alkyle, acétyle, benzoyle, phényle ou carboxyalkyle en C₁-C₄;    R₂ et R₃ désignent hydrogène, alkyle, alcoxy, hydroxyalkyle, amino, halogène, nitro, alkylphényle, phényle, alkylamino, hydroxyalkylamino;    et un composant (B) renfermant au moins (i) un composé de formule (II) : dans laquelle :    Y désigne OH ou NR₈R₉;    R₈ et R₉, identiques ou différents, désignent hydrogène, aminoéthyle, hydroxyéthyle ou alkyle en C₁-C₄;    R₄ à R₇, indépendamment l'un de l'autre, désignent un atome d'hydrogène, un alkyle en C₁-C₄, un chlore, un alcoxy en C₁-C₄, un acétylamino, un aryloxy, au plus deux des groupements R₄ à R₇ désignent un atome d'hydrogène, à l'exclusion du 2,5-diméthoxy 1,4-diaminobenzène;    et les sels cosmétiquement acceptables; ou (ii) une bis-phénylalkylènediamine. Elle concerne également les agents de teinture pour sa mise en oeuvre.

  本发明涉及一种角蛋白纤维染色工艺，包括同时或连续使用含有至少一种式 (I) 化合物的组分 (A)： 其中 ： R₁ 表示氢、烷基、乙酰基、苯甲酰基、苯基或 C₁-C₄ 羧烷基； R₂ 和 R₃ 表示氢、烷基、烷氧基、羟基烷基、氨基、卤素、硝基、烷基苯基、苯基、烷基氨基、羟基烷基氨基； 组分 (B) 至少含有 (i) 式 (II) 的化合物： 其中 ： Y 表示 OH 或 NR₈R₉； R₈ 和 R₉ 可以相同或不同，表示氢、氨基乙基、羟乙基或 C₁-C₄ 烷基； R₄至 R₇ 相互独立地表示氢原子、C₁-C₄ 烷基、氯、C₁-C₄ 烷氧基R₄至 R₇基团中最多有两个基团表示氢原子，不包括 2,5-二甲氧基-1,4-二氨基苯； 以及化妆品可接受的盐；或 (ii) 双苯基烷基二胺。 它还涉及用于其用途的染色剂。
• The Structures of Arylhydrazones of Unsymmetrically Substituted Quinones
  作者：Lee Irvin Smith、Willa B. Irwin

  DOI：10.1021/ja01849a042

  日期：1941.4