Aniline-d5(Synonyms: 苯胺-2,3,4,5,6-d5) 目录号 : GC49419
An internal standard for the quantification of aniline
Sample solution is provided at 25 µL, 10mM.
Aniline-d5 intended for use as an internal standard for the quantification of aniline by GC- or LC-MS. Aniline is an aromatic amine that has been used as a starting material in the synthesis of a wide variety of precursors to dyes and pigments, rubber processing chemicals, and agricultural chemicals.1 It increases the levels of reactive oxygen species (ROS) and malondialdehyde (MDA) and decreases the levels of glutathione and catalase, as well as the activity of superoxide dismutase (SOD), in primary rat hepatocytes when used at concentrations of 5 and 10 µg/ml.2 Aniline (0.3 and 0.6% of the diet) induces splenic sarcomas in rats and is neurotoxic to rats when administered at doses of 750 and 1,000 mg/kg.3,4 Formulations containing aniline have been used in the synthesis of pharmaceuticals.
1.Kahl, T., SchrÖder, K.-Q., Lawrence, F.R., et al.Aniline3465-478(2011) 2.Wang, Y., Gao, H., Na, X.-L., et al.Aniline induces oxidative stress and apoptosis of primary cultured hepatocytesInt. J. Environ. Res. Public Health13(12)1188(2016) 3.Goodman, D.G., Ward, J.M., and Reichardt, W.D.Splenic fibrosis and sarcomas in F344 rats fed diets containing aniline hydrochloride, p-chloroaniline, azobenzene, o-toluidine hydrochloride, 4,4’-sulfonyldianiline, or D & C red No. 9J. Natl. Cancer Inst.73(1)265-273(2019) 4.Okazaki, Y., Yamashita, K., Sudo, M., et al.Neurotoxicity induced by a single oral dose of aniline in ratsJ. Vet. Med. Sci.63(5)539-546(2001)
|溶解度||DMF: 15 mg/ml,DMSO: 10 mg/ml,Ethanol: 3 mg/ml,PBS (pH 7.2): 5 mg/ml||储存条件||-20°C|
储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。
|1 mg||5 mg||10 mg|
|1 mM||10.1833 mL||50.9165 mL||101.833 mL|
|5 mM||2.0367 mL||10.1833 mL||20.3666 mL|
|10 mM||1.0183 mL||5.0916 mL||10.1833 mL|
|% DMSO % % Tween 80 % saline|
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Hydrogen-bonding-induced enhancement of Fermi resonances: a linear IR and nonlinear 2D-IR study of Aniline-d5
J Phys Chem B 2013 Dec 12;117(49):15843-55.PMID:24000972DOI:10.1021/jp4084103.
Hydrogen bonding of the amino group of Aniline-d5 results in a huge enhancement of the NH2 bending overtone absorption strength, mainly attributed to the Fermi resonance effect. A quantitative analysis is presented, using a hybrid mode representation and encompassing experimental data on aniline with 0, 1, or 2 hydrogen bonds to dimethylsulfoxide (DMSO). Changes in enthalpy, hydrogen-bonding-induced frequency shifts, and the transition dipole moment increase of the local N-H stretching oscillator all demonstrate that the hydrogen bond is strongest in the single hydrogen-bonded complex. Linear IR overtone spectra show that the oscillator strength decreases upon hydrogen bonding for the N-H stretching overtones, which is opposite to the effect on the fundamental N-H stretching transitions. Polarization resolved 2D-IR spectra provide detailed information on the N-H stretching overtone manifold and support the relative orientations of the various IR transitions.
Synthesis of deuterium-labeled 2-quinoxalinecarboxylic acid and 3-methylquinoxaline-2-carboxylic acid from deuterium aniline
J Labelled Comp Radiopharm 2018 Dec;61(14):1043-1047.PMID:30132955DOI:10.1002/jlcr.3679.
An efficient and simple synthetic route of deuterium-labeled 2-quinoxalinecarboxylic acid-d4 (QCA-d4 ) and 3-methylquinoxaline-2-carboxylic acid-d4 (MQCA-d4 ) is presented with 99.9% and 99.6% isotopic enrichment using Aniline-d5 as labeled starting material. Their chemical structures were confirmed by 1 H NMR, and their isotopic abundance was determined by mass spectrometry analysis.
Hydrogen bonding induced enhancement of Fermi resonances: ultrafast vibrational energy flow dynamics in aniline-d₅
J Phys Chem B 2015 Feb 12;119(6):2711-25.PMID:25393885DOI:10.1021/jp509977r.
With hydrogen bonding of the amino group of Aniline-d5 we can identify the roles of Fermi enhanced combination and overtone states in intramolecular vibrational re-distribution (IVR) pathways for N-H stretching excitations. Using linear Fourier transform infrared (FT-IR) spectroscopy, ultrafast one- and two-color IR-pump-IR-probe spectroscopy, and femtosecond two-dimensional IR spectroscopy, we can identify the primary accepting modes for N-H stretching excitations. In particular, a key role is played by the δ(NH2) bending degree of freedom, either via its δ = 2 overtone state or via a combination state with the ν(C═C) ring stretching mode. No significant transient population in these Fermi enhanced combination/overtone states can be observed, a consequence of similar decay rates of these Fermi enhanced combination/overtone states and of the N-H stretching states. A similar magnitude of the transient response of the two fingerprint modes regardless of direct excitation of the Fermi enhanced combination/overtone levels or of the N-H stretching states suggests an underlying coupling mechanism facilitating common IVR pathways. This mechanism is expected to be of general importance for other organic compounds with hydrogen-bonded amino groups, including DNA bases.