1-(4-氟苯氧基)-4-硝基苯 | 2561-25-3

• 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: 1-(4-氟苯氧基)-4-硝基苯
• 英文名称: 1-(4-fluorophenoxy)-4-nitrobenzene
• 英文别名: 1-fluoro-4-(4-nitrophenoxy)benzene；4-(4-fluorophenoxy)-1-nitrobenzene；1-Nitro-4-(4-fluoro-phenoxy)-benzene；4-(4-fluoro-phenoxy)nitrobenzene；4-nitro-4'-fluorodiphenylether；4'-Fluor-4-nitro-diphenylaether；Benzene, 1-fluoro-4-(4-nitrophenoxy)-
• CAS: 2561-25-3
• 化学式: C₁₂H₈FNO₃
• 分子量: 233.199
• InChiKey: QJTHFMCXPLYBAK-UHFFFAOYSA-N

物化性质

• 沸点：
  318.2±22.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  1-(4-氟苯氧基)-4-硝基苯 在 10percentPd/C 氢气 、 碳酸氢钠 作用下， 以 乙醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 25.75h， 生成 3-[4-(4-Fluoro-phenoxy)-phenyl]-1-(2-hydroxy-1-methyl-2-phenyl-ethyl)-1-methyl-urea
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of Trisubstituted Phenyl Urea Derivatives as Neuropeptide Y5 Receptor Antagonists

  摘要：

  1-((1R,2R)-2-Hydroxy-1-methyl-2-phenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (1) was identified as a hit from the screening of the neuropeptide Y5 (NPY5) receptor. This lead was optimized for in vitro potency by changing the stereochemistry, the phenylethyl segment, the urea portion, and the 4-phenoxyphenyl group on the molecule. Over 40 analogues of 1 were prepared to study the structure-activity relationship for this series. The most potent compounds in this class have IC(50)s less than 0.1 nM at the NPY5 receptor (e.g., 40f, 44a, and 47). To determine the functional activity for this series of compounds, selected analogues were tested in acellular assay measuring forskolin-induced cyclic AMP accumulation in 293 cells transfected with the human NPY5 receptor. All urea analogues tested in the functional assay acted as antagonists (e.g., 1, 32, 40a, and 44e).

  DOI：

  10.1021/jm0004547
• 作为产物：
  描述：

  4-氟苯酚 、 对硝基氯苯 在 氢氧化钾 作用下， 生成 1-(4-氟苯氧基)-4-硝基苯
  参考文献：
  名称：

  19 F核磁共振研究芳族化合物。第三部分 取代基效应跨桥环系统的传递

  摘要：

  几个系列的类型的双核桥接的芳族化合物的合成中p -F·C 6 H ^ 4 ·Z·C 6 H ^ 4 ·X- p [Z =清一色反式- ·CH CH-CH CH·，C CH 2，CH 2，CH（OH），CMe（OH），– O–或–S–；描述了X ＝ NH 2，OMe，H，F，Cl或NO 2 ]。在19这些化合物的F nmr光谱用于检查由于基团X跨桥Z引起的电子效应的“透射”。在“透射效应”之间进行了区分，其中电子密度可以认为是从一个相互影响和“继电器效应”，其中可能没有电子密度的净转移。

  DOI：

  10.1039/p29720001988

文献信息

• [EN] GLYT2 MODULATORS<br/>[FR] MODULATEURS DU GLYT2
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005044810A1

  公开（公告）日：2005-05-19

  α-, β-, and Ϝ-amino acid derivatives of formula I are disclosed as selective GlyT2 inhibitors for the treatment of central nervous system (CNS) conditions such as muscle spasticity, tinnitus, epilepsy and neuropathic pain. Formula I

  公式I的α-, β-, 和 Ϝ-氨基酸衍生物被披露为选择性GlyT2抑制剂，用于治疗中枢神经系统（CNS）疾病，如肌肉痉挛、耳鸣、癫痫和神经痛。
• [EN] PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS<br/>[FR] COMPOSES DE PYRROLE ET PYRAZOLE PRESENTANT UN EFFET POTENTIATEUR SUR LES RECEPTEURS DU GLUTAMATE
  申请人：LILLY CO ELI

  公开号：WO2005040110A1

  公开（公告）日：2005-05-06

  The present invention relates to pyrrole and pyrazole compounds of formula (I) and their pharmaceutically acceptable salts, and further relates to their use in treating schizophrenia, cognitive deficits associated with schizophrenia, Alzheimer's disease, dementia of the Alzheimer's type, mild cognitive impairment, or depression. The compounds act as potentiators on glutamate receptors, in particular AMPA and the GluR family.

  本发明涉及式(I)的吡咯和吡唑化合物及其药用可接受的盐，并且进一步涉及它们在治疗精神分裂症、与精神分裂症相关的认知缺陷、阿尔茨海默病、阿尔茨海默型痴呆、轻度认知障碍或抑郁症方面的应用。这些化合物作为谷氨酸受体的增强剂，特别是AMPA和GluR家族。
• Novel glycine transporter type-2 reuptake inhibitors. Part 1: α-amino acid derivatives
  作者：Ronald L Wolin、Hariharan Venkatesan、Liu Tang、Alejandro Santillán、Tristin Barclay、Sandy Wilson、Doo Hyun Lee、Timothy W Lovenberg

  DOI：10.1016/j.bmc.2004.05.042

  日期：2004.8

  alpha-amino acid derivatives were prepared as glycine transport inhibitors and their ability to block the uptake of [(14)C]-glycine in COS7 cells transfected with human glycine transporter-2 (hGlyT-2) was evaluated. An array of substituents at the chiral center was studied and overall, L-phenylalanine was identified as the preferred amino acid residue. Compounds prepared from l-amino acids were more

  制备了多种α-氨基酸衍生物作为甘氨酸转运抑制剂，并评估了它们在人甘氨酸转运蛋白2（hGlyT-2）转染的COS7细胞中阻断[（14）C]-甘氨酸摄取的能力。研究了手性中心的一系列取代基，总的来说，L-苯丙氨酸被确定为优选的氨基酸残基。与衍生自相应的d-氨基酸的类似物相比，由l-氨基酸制备的化合物是更有效的GlyT-2抑制剂。引入非手性氨基酸（例如甘氨酸）或在α位置引入双链取代，会导致GlyT-2抑制特性显着降低。
• PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS
  申请人：Blumenfeld Marta

  公开号：US20090209586A1

  公开（公告）日：2009-08-20

  HPV inhibitors with formula (I) where G 1 represents a hydrocarbonated bond or chain possibly substituted by one or two alkyl groups, G 2 represents a group (see formula Ia+Ib) or R represents a hydrogen, an alkyl, halogenoalkyl, or a prodrug radical such as carbamate, acetyl or dialkylaminomethyl, G represents a bond or a hydrocarbonated chain possibly substituted by one or two alkyls, W represents an oxygen or sulphur, R 1 and R 2 each represent a group chosen from among hydrogen, halogen, hydroxyl, thio, alkoxy, halogenoalkoxy, alkylthio, halogenoalkylthio, amino, monoalkylamino, dialkylamino, cycloalkyl, alkyl or halogenoalkyl, R 3 represents an acid or a prodrug radical of the acid function or a bioisostere of the acid function, A represents an aryl, cycloalkyl, cycloalkenyl or a heterocycle, each possibly substituted, and B represents an aryl or a heterocycle with 6 chains, each possibly substituted, and pharmaceutically acceptable salts.

  HPV抑制剂的化学式（I），其中G1代表一个可能由一个或两个烷基基团取代的碳氢键或链，G2代表一个基团（见化学式Ia+Ib）或R代表氢、烷基、卤代烷基或类似碳酸酯、乙酰基或二烷基氨甲基的前药基团，G代表一个可能由一个或两个烷基取代的碳氢链或键，W代表氧或硫，R1和R2各自代表从氢、卤素、羟基、硫代基、烷氧基、卤代烷氧基、烷基硫代基、卤代烷基硫代基、氨基、单烷基氨基、二烷基氨基、环烷基、烷基或卤代烷基中选择的一个基团，R3代表酸或酸功能的前药基团或酸功能的生物同位素，A代表芳基、环烷基、环烯基或杂环，每个可能被取代，B代表具有6个链的芳基或杂环，每个可能被取代，并且具有药用上可接受的盐。
• [EN] PYRIDINE COMPOUNDS AS SODIUM CHANNEL BLOCKERS<br/>[FR] COMPOSÉS PYRIDINES COMME BLOQUEURS DES CANAUX SODIQUES
  申请人：PURDUE PHARMA LP

  公开号：WO2012007836A1

  公开（公告）日：2012-01-19

  The invention relates to substituted pyridine compounds of Formula I: (I) or a pharmaceutically acceptable salt, prodrug, or solvate thereof, wherein A1, X, A2, R1a, R1b, R1c, G, and z are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula I to treat a disorder responsive to the blockade of sodium channels. Compounds of the present invention are especially useful for treating pain.

  该发明涉及公式I的取代吡啶化合物：(I)或其药学上可接受的盐、前药或溶剂化合物，其中A1、X、A2、R1a、R1b、R1c、G和z的定义如规范中所述。该发明还涉及利用公式I的化合物治疗对钠通道阻滞有响应的疾病。本发明的化合物特别适用于治疗疼痛。