(S)-3-nitrophenylethylamine | 90271-37-7

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-3-nitrophenylethylamine
• 英文别名: (S)-1-(3 -nitrophenyl)ethan-1-amine；(S)-m-nitrophenylethanamine；(S)-1-(3-nitro-phenyl)-ethylamine；(S)-1-(3-Nitro-phenyl)-aethylamin；(1S)-1-(3-nitrophenyl)ethanamine；(s)-1-(3-Nitrophenyl)ethanamine
• CAS: 90271-37-7
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: AVIBPONLEKDCPQ-LURJTMIESA-N

物化性质

• 沸点：
  122-124 °C(Press: 3 Torr)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  1
• 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：
  2921499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (S)-3-nitrophenylethylamine 在 10 wt% Pd(OH)2 on carbon 、 氢气 、 silica gel 、 potassium carbonate 、 copper(II) sulfate 、 三乙胺 、 碘甲烷 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 乙酸乙酯 、 丙酮 为溶剂， 反应 2.0h， 生成 [(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[[N-cyano-N'-(4-cyano-3-methoxyphenyl)carbamimidoyl]amino]phenyl]ethyl]carbamate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel inosine 5′-monophosphate dehydrogenase (IMPDH) inhibitors

  摘要：

  This study is based on our attempts to further explore the structure-activity relationship (SAR) of VX-148 (3) in an attempt to identify inosine 5'-mono-phosphate dehydrogenase (IMPDH) inhibitors superior to mycophenolic acid. A five-point pharmacophore developed using structurally diverse, known IMPDH inhibitors guided further design of novel analogs of 3. Several conventional as well as novel medicinal chemistry strategies were tried. The combined structure-and ligand-based approaches culminated in a few analogs with either retained or slightly higher potency. The compounds which retained the potency were also checked for their ability to inhibit human peripheral blood mononuclear cells proliferation. This study illuminates the stringent structural requirements and strict SAR for IMPDH II inhibition.

  DOI：

  10.3109/14756366.2013.793184
• 作为产物：
  描述：

  1-(3-硝基苯基)乙醇 在 D-酒石酸 、 叠氮磷酸二苯酯 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 水 、 甲苯 为溶剂， 生成 (S)-3-nitrophenylethylamine
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel inosine 5′-monophosphate dehydrogenase (IMPDH) inhibitors

  摘要：

  This study is based on our attempts to further explore the structure-activity relationship (SAR) of VX-148 (3) in an attempt to identify inosine 5'-mono-phosphate dehydrogenase (IMPDH) inhibitors superior to mycophenolic acid. A five-point pharmacophore developed using structurally diverse, known IMPDH inhibitors guided further design of novel analogs of 3. Several conventional as well as novel medicinal chemistry strategies were tried. The combined structure-and ligand-based approaches culminated in a few analogs with either retained or slightly higher potency. The compounds which retained the potency were also checked for their ability to inhibit human peripheral blood mononuclear cells proliferation. This study illuminates the stringent structural requirements and strict SAR for IMPDH II inhibition.

  DOI：

  10.3109/14756366.2013.793184
• 作为试剂：
  描述：

  1-(1-azidoethyl)-3-nitrobenzene 、 水 、 三苯基膦 在 盐酸 、 sodium hydroxide 、 乙醚 、 Brine 、 magnesium sulfate 、 silica gel 、 氨 、 甲醇 、 二氯甲烷 、 (S)-3-nitrophenylethylamine 作用下， 以 苯 、 乙醚 为溶剂， 反应 19.0h， 以to yield 78.4 mg of pure title compound and 159 mg of the title compound that的产率得到(S)-3-nitrophenylethylamine
  参考文献：
  名称：

  Src kinase inhibitor compounds

  摘要：

  嘌呤类化合物（I式），或其药学上可接受的盐、水合物、溶剂化物、晶体形式和单一对映体，以及包括它们的制药组合物，它们是酪氨酸激酶酶抑制剂，因此在预防和治疗蛋白酪氨酸激酶相关疾病方面非常有用，如免疫性疾病、增生性疾病和其他不适当的蛋白激酶作用被认为起作用的疾病，如癌症、血管生成、动脉硬化、移植排斥、类风湿性关节炎和银屑病。

  公开号：

  US06498165B1

文献信息

• Stereoelectronic effects in the reaction of aromatic substrates catalysed by Halomonas elongata transaminase and its mutants
  作者：Martina Letizia Contente、Matteo Planchestainer、Francesco Molinari、Francesca Paradisi

  DOI：10.1039/c6ob01629d

  日期：——

  A transaminase from Halomonas elongata and four mutants generated by an in silico-based design were recombinantly produced in E. coli, purified and applied to the amination of mono-substituted aromatic carbonyl-derivatives. While benzaldehyde derivatives were excellent substrates, only NO2-acetophenones were transformed into the (S)-amine with a high enantioselectivity. The different behaviour of wild-type

  在大肠杆菌中重组产生了来自Haloomonas elongata的转氨酶和通过基于计算机的设计产生的四个突变体，在大肠杆菌中进行了纯化，并将其应用于单取代的芳香族羰基衍生物的胺化。尽管苯甲醛衍生物是优良的底物，但只有NO 2-苯乙酮以高对映选择性被转化为（S）-胺。通过计算机模拟底物结合模式研究评估了野生型和突变型转氨酶的不同行为。
• [EN] HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF<br/>[FR] INHIBITEURS DE KINASE HÉTÉROCYCLIQUES, PRODUITS ET UTILISATIONS ASSOCIÉS
  申请人：GB002 INC

  公开号：WO2020264420A1

  公开（公告）日：2020-12-30

  Compounds are provided having the structure of Formula (I) or a pharmaceutically acceptable isomer, racemate, hydrate, solvate, tautomer, isotope, or salt thereof, wherein A, X, R3, R5, R6, R7, R8, Y2, Y4, Y6, Y7, Y8, Y9, m, and n are as defined herein. Such compounds inhibit tyrosine kinase receptors, particularly the platelet derived growth factor receptor - alpha (PDGFR-α) and/or the platelet derived growth factor receptor - beta (PDGFR-β). Products containing such compounds, as well as methods for their use and preparation, are also provided.

  提供具有Formula (I)结构或其药学上可接受的异构体、消旋体、水合物、溶剂合物、互变异构体、同位素或盐的化合物，其中A、X、R3、R5、R6、R7、R8、Y2、Y4、Y6、Y7、Y8、Y9、m和n如本文所定义。这些化合物抑制酪氨酸激酶受体，特别是血小板源性生长因子受体-α（PDGFR-α）和/或血小板源性生长因子受体-β（PDGFR-β）。还提供含有这些化合物的产品，以及其使用和制备方法。
• 1,3-OXAZOLIDINE-2-ONE-LIKE COMPOUND, PREPARATION METHOD AND USES THEREOF
  申请人：Wang Si-Qing

  公开号：US20140171640A1

  公开（公告）日：2014-06-19

  This invention provides 1,3-oxazolidin-2-one compounds of formula I and their salts, their preparation methods, and use in the preparation of linezolid racemate and its optical isomer, which are used as oxazolidinone antibacterial agents. In the formula, R is H, hydroxyl, halogen, C 1 -C 12 alkyl, C 1 -C 12 alkoxy, nitro and carboxyl; and R can be placed at any position on the benzene rings; and the compound is a racemate or an optical isomer.

  这项发明提供了式I的1,3-噁唑烷二酮化合物及其盐、其制备方法，以及在制备利奈唑酮的拉卡美特及其光学异构体中的应用，这些化合物作为噁唑烷酮类抗菌剂使用。在该式中，R代表H、羟基、卤素、C1-C12烷基、C1-C12烷氧基、硝基和羧基；R可以放置在苯环的任何位置；化合物是拉克美特或光学异构体。
• Enantiomerenangereicherte 1-Phenylethylamine
  申请人：Bayer Chemicals AG

  公开号：EP1505056A1

  公开（公告）日：2005-02-09

  Die vorliegende Erfindung betrifft ein Verfahren zur Herstellung von nitrosubstituierten, enantiomerenangereicherten 1-Phenylethylaminen sowie ihre Verwendung.

  本发明涉及一种制备硝基取代的、对映体富集的1-苯乙胺的方法以及其用途。
• Inhibitors of IMPDH enzyme
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US07087642B2

  公开（公告）日：2006-08-08

  The present invention relates to compounds which inhibit IMPDH. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting IMPDH enzyme activity and consequently, may be advantageously used as therapeutic agents for IMPDH-mediated processes. This invention also relates to methods for inhibiting the activity of IMPDH using the compounds of this invention and related compounds.

  本发明涉及抑制IMPDH的化合物。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制IMPDH酶活性，因此可以优势地用作IMPDH介导过程的治疗剂。本发明还涉及使用本发明的化合物和相关化合物抑制IMPDH活性的方法。