2-甲氧基-N-甲基-6-硝基苯胺 | 410092-91-0

• 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-甲氧基-N-甲基-6-硝基苯胺
• 英文名称: 2-methoxy-N-methyl-6-nitroaniline
• 英文别名: N-methyl-2-methoxy-6-nitroaniline；2-methoxy-N-methyl-6-nitro-aniline；3-Nitro-2-methylamino-phenol-methylaether；2-Methoxy-N-methyl-6-nitro-anilin；3-Nitro-2-methylamino-anisol
• CAS: 410092-91-0
• 化学式: C₈H₁₀N₂O₃
• 分子量: 182.179
• InChiKey: OIHKYOVNCNDWGG-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：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  67.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  2-甲氧基-N-甲基-6-硝基苯胺 生成 2-methoxy-N-methyl-4,6,N-trinitro-aniline
  参考文献：
  名称：

  Blanksma, Chemisches Zentralblatt, 1908, vol. 79, # II, p. 1826

  摘要：

  DOI：
• 作为产物：
  描述：

  2-fluoro-1-methoxy-3-nitrobenzene 、 甲胺 以 乙醇 为溶剂， 反应 16.0h， 生成 2-甲氧基-N-甲基-6-硝基苯胺
  参考文献：
  名称：

  Discovery of small molecule benzimidazole antagonists of the chemokine receptor CXCR3

  摘要：

  High-throughput screening identified a low molecular weight antagonist of CXCR3 displaying micromolar activity in a membrane filtration-binding assay. Systematic modi. cation of the benzimidazole core and tethered acetophenone moiety established tractable SAR of analogs with improved physicochemical properties and sub-micromolar activity across both human and murine receptors. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.074

文献信息

• [EN] THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE THIAZOLE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SCHERING CORP

  公开号：WO2009058728A1

  公开（公告）日：2009-05-07

  The present invention relates to novel Thiazole Derivatives, compositions comprising the Thiazole Derivatives, and methods for using the Thiazole Derivatives for treating or preventing a proliferative disorder, an anti-proliferative disorder, inflammation, arthritis, a central nervous system disorder, a cardiovascular disease, alopecia, a neuronal disease, an ischemic injury, a viral infection, a fungal infection, or a disorder related to the activity of a protein kinase.

  本发明涉及新型噻唑衍生物，包含该噻唑衍生物的组合物，以及使用该噻唑衍生物治疗或预防增生性疾病、抗增生性疾病、炎症、关节炎、中枢神经系统疾病、心血管疾病、脱发、神经疾病、缺血性损伤、病毒感染、真菌感染或与蛋白激酶活性相关的疾病的方法。
• [EN] BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS<br/>[FR] DÉRIVÉS DE BENZOXAZINONE POUR TRAITER DES TROUBLES INDUITS PAR GLYTL
  申请人：GLAXO GROUP LTD

  公开号：WO2011012622A1

  公开（公告）日：2011-02-03

  The present invention relates to benzoxazinone derivatives, processes for their preparation, pharmaceutical compositions and medicaments containing them and to their use in treating disorders mediated by GlyT1, including neurological and neuropsychiatric disorders, in particular psychoses, dementia or attention deficit disorder.

  本发明涉及苯并噁唑酮衍生物，其制备方法，含有它们的药物组合物和药物，以及它们在治疗由GlyT1介导的疾病中的应用，包括神经系统和神经精神疾病，特别是精神病、痴呆或注意力缺陷障碍。
• Construction of Interconnected Acidity Functions Based on ortho Substituted Anilines and N-Methylanilines as Indicators
  作者：Oldřich Pytela、Jiří Kulhánek、Eva Jirásková、Taťjana Nevěčná

  DOI：10.1135/cccc20011638

  日期：——

  The log I values of 15 mainly ortho substituted derivatives of aniline and N-methylaniline have been measured spectrophotometrically in sulfuric, perchloric, and methanesulfonic acids. A new algorithm has been suggested for construction of acidity functions enabling simultaneous and independent construction of acidity functions in various media under the condition of equal values of pK_a of the same indicators in the given media. The so-called interconnected acidity functions have been constructed with using this algorithm and the log I values measured in the above media, and the pK_a values have been calculated. The resulting acidity functions and pK_a values agree well with the corresponding literature data.

  已测量了苯胺和N-甲基苯胺的15种主要邻位取代衍生物的光谱学中的对数I值，分别在硫酸、高氯酸和甲磺酸中。提出了一种新的算法用于构建酸度函数，使得在给定介质中相同指示剂的pKa值相等的条件下，能够同时和独立地构建不同介质中的酸度函数。利用这种算法和在上述介质中测得的对数I值构建了所谓的相互连接的酸度函数，并计算了pKa值。所得到的酸度函数和pKa值与相应的文献数据相吻合。
• Synthesis and antiproliferative evaluation of novel benzoimidazole-contained oxazole-bridged analogs of combretastatin A-4
  作者：Jie Zhou、Jing Jin、Yi Zhang、Yuwen Yin、Xiaoguang Chen、Bailing Xu

  DOI：10.1016/j.ejmech.2013.08.006

  日期：2013.10

  A series of novel oxazole-bridged analogs of combretastatin A-4 bearing a benzo[d]-imidazole as B ring were synthesized and evaluated for antiproliferative activities against five human cancer cell lines. Among all the synthesized compounds, the N-unsubstituted benzoimidazole analog 5 and the analogs 6b, 7a and 7b with a small hydrophobic group on nitrogen atom of benzoimidazole ring were identified as the most potent inhibitors of tumor cell growth with IC50 values at nanomolar levels (5, IC50 = 8.4 nM, HT29; 6b, 7a, 7b, IC50 = 9.6 nM, 3.8 nM, 3.0 nM, A549). In a murine H22 tumor xenograft model, compound 5 exhibited significant antitumor activity. The binding mode of compound 5 in the colchicine binding site of tubulin was probed. (C) 2013 Elsevier Masson SAS. All rights reserved.
• Wrede; Strack, Chemische Berichte, 1929, vol. 62, p. 2053
  作者：Wrede、Strack

  DOI：——

  日期：——