5-氨基-3-硝基-1,2-二甲苯 | 64823-22-9

• 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: 5-氨基-3-硝基-1,2-二甲苯
• 英文名称: 3,4-dimethyl-5-nitro-aniline
• 英文别名: 3,4-Dimethyl-5-nitro-anilin；6-Nitro-4-amino-o-xylol；3,4-dimethyl-5-nitro-benzenamine；3-Nitro-5-amino-1,2-dimethyl-benzol；5-Amino-3-nitro-o-xylol；3,4-Dimethyl-5-nitroaniline
• CAS: 64823-22-9
• 化学式: C₈H₁₀N₂O₂
• mdl: MFCD09880021
• 分子量: 166.18
• InChiKey: LRWWBVBRBWPHBA-UHFFFAOYSA-N

物化性质

• 熔点：
  74-75 °C
• 沸点：
  331.3±37.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2921430090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  5-氨基-3-硝基-1,2-二甲苯 在 potassium carbonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 正丁醇 为溶剂， 反应 15.0h， 生成 N-(3,4-dimethyl-5-nitrophenyl)-2-((4-oxo-4H-chromen-7-yl)oxy)acetamide
  参考文献：
  名称：

  Discovery of 4H-Chromen-4-one Derivatives as a New Class of Selective Rho Kinase (ROCK) Inhibitors, which Showed Potent Activity in ex Vivo Diabetic Retinopathy Models

  摘要：

  Diabetic retinopathy (DR) is a major cause of blindness, and there is a lack of effective treatment at present. Rho-associated coiled-coil containing serine/threonine protein kinases (ROCKs) have recently been suggested as potential targets for the DR treatment. We herein report the discovery of 4H-chromen-4-one derivatives as a new class of ROCK inhibitors. Structure-activity relationship analyses led to the identification of the most active compound, 4-(dimethylamino)-N-(3-{2-[(4-oxo-4H-chromen-7-yl)oxy]acetamido}phenyl) (12j). This compound showed excellent kinase selectivity for ROCK I and ROCK II against 387 other kinases. In retinal explants, compound 12j protected retinal neurons from high glucose-induced oxidative stress and apoptosis-mediated cell death. Furthermore, 12j administration suppressed the improper proliferation of Muller cells and promoted the regression of vascular vessels in retinal explants cultured in a high glucose microenvironment. Collectively, our data suggest that 12j could be a potential lead compound for the treatment of DR, hence deserving further in-depth studies.

  DOI：

  10.1021/acs.jmedchem.9b01143
• 作为产物：
  描述：

  1,2-二甲基-3,5-二硝基苯 在 sodium hydrogensulfide 作用下， 生成 5-氨基-3-硝基-1,2-二甲苯
  参考文献：
  名称：

  REACTION OF ANHYDROSEPEDONIN WITH ALKALI SYNTHESIS OF A DEGRADATION PRODUCT AND SOME RELATED DIMETHYLHYDROXYBENZOIC ACIDS

  摘要：

  从无水石蕈酮与碱反应中分离出两种产物，并鉴定为3-羟基-5-甲基苯甲酸和3,4-二甲基-5-羟基苯甲酸。后一化合物的结构通过明确的合成得到确认。在这项工作中，还制备了从o-二甲苯衍生的其余o-和m-羟基苯甲酸。

  DOI：

  10.1139/v64-010

文献信息

• [EN] 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES<br/>[FR] DÉRIVÉS DE 9H-PURINE SUBSTITUÉS EN POSITION 6 ET UTILISATIONS ASSOCIÉES
  申请人：BLACK DIAMOND THERAPEUTICS INC

  公开号：WO2022178256A1

  公开（公告）日：2022-08-25

  The present disclosure relates compounds of Formula (I'): and pharmaceutically acceptable salts and stereoisomers thereof. The present disclosure also relates to methods of preparing the compounds, compositions comprising the compounds, and methods of using the compounds, e.g., in the treatment of cancer.

  本公开涉及公式（I'）化合物及其药学上可接受的盐和立体异构体。本公开还涉及制备该化合物的方法，包含该化合物的组合物，以及使用该化合物的方法，例如在癌症治疗中的应用。
• Probe compound for detecting and isolating enzymes and means and methods using the same
  申请人：Helmholtz-Zentrum für Infektionsforschung GmbH

  公开号：EP2230312A1

  公开（公告）日：2010-09-22

  The present invention relates to a probe compound that can comprise any substrate or metabolite of an enzymatic reaction in addition to an indicator component, such as, for example, a fluorescence dye, or the like. Moreover, the present invention relates to means for detecting enzymes in form of an array, which comprises any number of probe compounds of the invention which each comprise a different metabolite of interconnected metabolites representing the central pathways in all forms of life. Moreover, the present invention relates to a method for detecting enzymes involving the application of cell extracts or the like to the array of the invention which leads to reproducible enzymatic reactions with the substrates. These specific enzymatic reactions trigger the indicator (e.g. a fluorescence signal) and bind the enzymes to the respective cognate substrates. Moreover, the invention relates to means for isolating enzymes in form of nanoparticles coated with the probe compound of the invention. The immobilisation of the cognate substrates or metabolites on the surface of nanoparticles by means of the probe compounds allows capturing and isolating the respective enzyme, e.g. for subsequent sequencing.

  本发明涉及一种探针化合物，它可以包括酶反应的任何底物或代谢物，此外还包括指示成分，例如荧光染料或类似物。此外，本发明还涉及以阵列形式检测酶的方法，该阵列由任意数量的本发明探针化合物组成，每种探针化合物由代表所有生命形式中中心途径的相互关联的代谢物中的不同代谢物组成。此外，本发明还涉及一种检测酶的方法，该方法涉及将细胞提取物或类似物应用于本发明的阵列，从而导致与底物发生可重复的酶反应。这些特定的酶反应会触发指示剂（如荧光信号），并将酶与各自的同源底物结合。此外，本发明还涉及以涂覆有本发明探针化合物的纳米颗粒形式分离酶的方法。通过探针化合物将同源底物或代谢物固定在纳米颗粒表面，可以捕获和分离相应的酶，例如用于后续测序。
• Noelting; Thesmar, Chemische Berichte, 1902, vol. 35, p. 632
  作者：Noelting、Thesmar

  DOI：——

  日期：——
• Noelting; Braun; Thesmar, Chemische Berichte, 1901, vol. 34, p. 2255
  作者：Noelting、Braun、Thesmar

  DOI：——

  日期：——
• Aleksandrov,I.V.; Abraduschkin,Yu.S., Journal of general chemistry of the USSR, 1960, vol. 30, p. 3374 - 3379
  作者：Aleksandrov,I.V.、Abraduschkin,Yu.S.

  DOI：——

  日期：——