4-(2-甲氧基-乙氧基)-2-甲基-1-硝基-苯 | 1026179-29-2

• 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: 4-(2-甲氧基-乙氧基)-2-甲基-1-硝基-苯
• 英文名称: 4-(2-Methoxyethoxy)-2-methyl-1-nitrobenzene
• CAS: 1026179-29-2
• 化学式: C₁₀H₁₃NO₄
• 分子量: 211.218
• InChiKey: UERZEMBAXGYQCE-UHFFFAOYSA-N

物化性质

• 沸点：
  334.4±32.0 °C(predicted)
• 密度：
  1.167±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-甲氧基-乙氧基)-2-甲基-1-硝基-苯 在 哌啶 、 盐酸 、 palladium on activated charcoal 、 氢气 、 sodium methylate 作用下， 以 甲醇 、 乙醚 、 水 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  3- [4-（二甲基氨基）苯基]烷基-2-氧吲哚衍生物的合成及其对神经元细胞死亡的影响

  摘要：

  通过以下两种途径之一合成了新型3- [4-（二甲基氨基）苯基]烷基-2-氧吲哚类似物：（1）羟吲哚与（4-二甲基氨基）肉桂醛加氢的Knoevenagel缩合序列，或（2 ）用[（4-二甲基氨基）苯基]烷基卤化物对羟吲哚二价阴离子进行烷基化。随后通过基于阴离子的方法在羟吲哚骨架的C-3和/或N-1处进行烷基化，为结构-活性关系研究提供了额外的取代衍生物。通过乳酸脱氢酶测定评估它们对氧化应激诱导的神经元细胞死亡的影响。烷基链长为2-4的化合物可显着抑制神经元细胞死亡。通过用极性较小的基团取代，活性没有发生显着变化。

  DOI：

  10.1016/j.bmcl.2017.08.005
• 作为产物：
  描述：

  4-硝基苯基-2-甲氧基乙醚 在 醋酸异丙酯 、 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 生成 4-(2-甲氧基-乙氧基)-2-甲基-1-硝基-苯
  参考文献：
  名称：

  Rapid and Efficient Synthesis of 1H-Indol-2-yl-1H-quinolin-2-ones

  摘要：

  A concise and efficient synthesis of the novel indol-2-yl-1H-quinolin-2-one ring system found in the potent and selective KDR kinase inhibitors 1-3 is presented.

  DOI：

  10.1021/ol035541i

文献信息

• COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20160009682A1

  公开（公告）日：2016-01-14

  The present invention is directed to indazole compounds which are potent inhibitors of LRRK2 kinase and useful in the treatment or prevention of diseases in which the LRRK2 kinase is involved, such as Parkinson's Disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which LRRK-2 kinase is involved.

  本发明涉及一种indazole化合物，该化合物是LRRK2激酶的有效抑制剂，并可用于治疗或预防LRRK2激酶参与的疾病，如帕金森病。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗LRRK-2激酶参与的这些疾病中使用这些化合物和组合物。
• The Serotonin 5-HT4 Receptor. 2. Structure-Activity Studies of the Indole Carbazimidamide Class of Agonists
  作者：Karl-Heinz Buchheit、Rainer Gamse、Rudolf Giger、Daniel Hoyer、Francois Klein、Edgar Kloeppner、Hans-Juergen Pfannkuche、Henri Mattes

  DOI：10.1021/jm00013a010

  日期：1995.6

  A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as partial agonists emerged from this study. For example, 1b,d were found to be the most potent, full 5-HT4 receptor agonists described so far (EC(50) = 0.5 and 0.8 nM, respectively), being 6 and 4 times more potent than serotonin itself. On the other hand, 5b and 1h appeared as partial 5-HT4 receptor agonists in the nonstimulated guinea pig ileum preparation with potencies, evaluated against serotonin action, respectively similar (5b, K-i = 12 nM) to and 300-fold higher (1h, K-i = 0.04 nM) than serotonin.
• US9440952B2
  申请人：——

  公开号：US9440952B2

  公开（公告）日：2016-09-13
• [EN] COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY<br/>[FR] COMPOSÉS INHIBANT L'ACTIVITÉ ENZYMATIQUE DE LA KINASE À RÉPÉTITION RICHE EN LEUCINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014137728A1

  公开（公告）日：2014-09-12

  The present invention is directed to indazole compounds which are potent inhibitors of LRRK2 kinase and useful in the treatment or prevention of diseases in which the LRRK2 kinase is involved, such as Parkinson's Disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which LRRK-2 kinase is involved.
• Synthesis of 3-[4-(dimethylamino)phenyl]alkyl-2-oxindole derivatives and their effects on neuronal cell death
  作者：Kyoji Furuta、Yu Kawai、Yosuke Mizuno、Yurika Hattori、Hiroko Koyama、Yoko Hirata

  DOI：10.1016/j.bmcl.2017.08.005

  日期：2017.9

  oxindole skeleton by anion-based methods provided additional substituted derivatives for structure-activity relationship studies. Their effects on neuronal cell death induced by oxidative stress were evaluated by lactate dehydrogenase assay. Compounds with the alkyl chain length of 2–4 significantly suppressed the neuronal cell death. No significant change occurred in the activity by substitution with

  通过以下两种途径之一合成了新型3- [4-（二甲基氨基）苯基]烷基-2-氧吲哚类似物：（1）羟吲哚与（4-二甲基氨基）肉桂醛加氢的Knoevenagel缩合序列，或（2 ）用[（4-二甲基氨基）苯基]烷基卤化物对羟吲哚二价阴离子进行烷基化。随后通过基于阴离子的方法在羟吲哚骨架的C-3和/或N-1处进行烷基化，为结构-活性关系研究提供了额外的取代衍生物。通过乳酸脱氢酶测定评估它们对氧化应激诱导的神经元细胞死亡的影响。烷基链长为2-4的化合物可显着抑制神经元细胞死亡。通过用极性较小的基团取代，活性没有发生显着变化。