2-(2-氨基乙基)-5-甲基苯-1,4-二醇 | 81255-52-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2-氨基乙基)-5-甲基苯-1,4-二醇
• 英文名称: 2-(2,5-Dihydroxy-4-methyl-phenyl)-ethylamin
• 英文别名: 2-(2-aminoethyl)-5-methylhydroquinone；2-(2-Aminoethyl)-5-methylbenzene-1,4-diol
• CAS: 81255-52-9
• 化学式: C₉H₁₃NO₂
• 分子量: 167.208
• InChiKey: JXAPACXEBBSTBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-氨基乙基)-5-甲基苯-1,4-二醇 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 6-甲基-1H-吲哚-5-醇
  参考文献：
  名称：

  Kucklaender, Uwe; Bastian, Udo, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1987, vol. 42, # 12, p. 1567 - 1577

  摘要：

  DOI：
• 作为产物：
  描述：

  2,5-Dibenzyloxy-4-methyl-benzaldehyd 在 palladium on activated charcoal sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 氯化亚砜 、 氢气 、 二甲基亚砜 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 为溶剂， 25.0~40.0 ℃ 、405.3 kPa 条件下， 反应 57.0h， 生成 2-(2-氨基乙基)-5-甲基苯-1,4-二醇
  参考文献：
  名称：

  Kucklaender, Uwe; Bastian, Udo, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1987, vol. 42, # 12, p. 1567 - 1577

  摘要：

  DOI：

文献信息

• Synthesis and physicochemical and neurotoxicity studies of 1-(4-substituted-2,5-dihydroxyphenyl)-2-aminoethane analogs of 6-hydroxydopamine
  作者：Alice C. Cheng、Neal Castagnoli

  DOI：10.1021/jm00370a014

  日期：1984.4

  In an attempt to evaluate the possible relationship between the neurotoxicity of 6-hydroxydopamine and the redox properties and electrophilic reactivity of the 6-hydroxydopamine-p-hydroquinone/p-quinone system, we have synthesized a series of 6-hydroxydopamine analogues in which the C4-hydroxy group is replaced with various electron-donating and electron-withdrawing substituents. With the aid of cyclic voltammetry, the formal oxidation potentials (E degrees ') for the p-hydroquinone/p-quinone redox couples and the rates of cyclization of the p-quinones to the corresponding p-iminoquinones were determined. As expected, electron-rich p-hydroquinones were easily oxidized to the p-quinones, which underwent cyclization slowly, whereas the oxidation of electron-poor p-hydroquinones required higher voltages and yielded p-quinones, which cyclized readily at pH 7.4. The neurotoxic potential of these compounds showed that in vivo destruction of noradrenergic terminals, as measured by inhibition of norepinephrine uptake by rat heart slices, occurred only with those analogues bearing electron-donating substituents. Potent neurotoxic properties were associated only with the 4-amino and 4-hydroxy derivatives, both of which form p-quinones, which do not cyclize readily at pH 7.4. These results support the thesis that the p-quinone derived from 6-hydroxydopamine may be an important species in the mediation of the neurodestruction caused by 6-hydrodopamine.
• KUCKLANDER, UWE;BASTIAN, UDO, Z. NATURFORSCH., 42,(1987) N 12, 1567-1577
  作者：KUCKLANDER, UWE、BASTIAN, UDO

  DOI：——

  日期：——
• HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies
  申请人：University of Iowa Research Foundation

  公开号：US20180209956A1

  公开（公告）日：2018-07-26

  Disclosed are methods, compositions, kits, and systems for identifying small-molecule drugs for treating cancer in a subject. The disclosed methods, compositions, kits, and systems may be utilized to identify small-molecule inhibitors of radiation sensitive protein 52 (RAD52) in order to treat cancer in a subject, such as breast cancer in a subject having a BRCA1-deficient, BRCA2-deficient, and/or PALB2-deficient phenotype by administering the identified small-molecule inhibitors to the subject.
• Kucklaender, Uwe; Bastian, Udo, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1987, vol. 42, # 12, p. 1567 - 1577
  作者：Kucklaender, Uwe、Bastian, Udo

  DOI：——

  日期：——