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Thymine

$43

  • Brand : BIOFRON

  • Catalogue Number : BF-T3016

  • Specification : 98%

  • CAS number : 65-71-4

  • Formula : C5H6N2O2

  • Molecular Weight : 126.11

  • PUBCHEM ID : 1135

  • Volume : 100mg

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Catalogue Number

BF-T3016

Analysis Method

HPLC,NMR,MS

Specification

98%

Storage

2-8°C

Molecular Weight

126.11

Appearance

White crystalline powder

Botanical Source

Lophatherum gracile

Structure Type

Nucleosiede

Category

Standards;Natural Pytochemical;API

SMILES

CC1=CNC(=O)NC1=O

Synonyms

5-Methyl-2,4(1H,3H)-pyrimidinedione/Clospirazine/5-methylpyrimidine-2,4-dione/5-Methyluracil/THYMINE extrapure/Thymine/4-Hydroxy-5-methylpyrimidin-2(1H)-one/2,4(1H,3H)-Pyrimidinedione, 5-methyl-/5-Methylpyrimidine-2,4-diol/ThyMine 5GR/5-Methylpyrimidin-2,4(1H,3H)-dion/2,4-dihydroxy-5-methylpyrimidine/D-THYMIDINE/THYMIN/5-Methylpyrimidine-2,4(1H,3H)-dione/Zidovudine Impurity 3

IUPAC Name

5-methyl-1H-pyrimidine-2,4-dione

Density

1.4±0.1 g/cm3

Solubility

Methanol; DMSO

Flash Point

198.0±26.5 °C

Boiling Point

403.8±37.0 °C at 760 mmHg

Melting Point

316 °C

InChl

InChl Key

WGK Germany

RID/ADR

HS Code Reference

2933590000

Personal Projective Equipment

Correct Usage

For Reference Standard and R&D, Not for Human Use Directly.

Meta Tag

provides coniferyl ferulate(CAS#:65-71-4) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of coniferyl ferulate are included as well.>> amp version: coniferyl ferulate

PMID

32230779

Abstract

Herein, graphene oxide nanoribbons (GONRs) were obtained from the oxidative unzipping of multi-walled carbon nanotubes. Covalent coupling reaction of 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride (EDC) and N-hydroxy succinimide (NHS) with amine functional groups (-NH2) of the chitosan natural polymer (CH) was used for entrapping GONRs on the activated glassy carbon electrode (GCE/GONRs-CH). The nanocomposite was characterized by high-resolution transmission electron microscopy (HRTEM), and field-emission scanning electron microscopy (FESEM). In addition, the modification steps were monitored using FTIR. The nanocomposite-modified electrode was used for the simultaneous electrochemical determination of four DNA bases; guanine (G), adenine (A), thymine (T) and cytosine (C). The nanocomposite-modified GCE displayed a strong, stable and continuous four oxidation peaks during electrochemistry detection at potentials 0.63, 0.89, 1.13 and 1.27 V for G, A, T and C, respectively. The calibration curves were linear up to 256, 172, 855 and 342 μM with detection limits of 0.002, 0.023, 1.330 and 0.641 μM for G, A, T and C, respectively. The analytical performance of the GCE/GONRs-CH has been used for the determination of G, A, T and C in real samples and obtained a recovery percentage from 91.1%-104.7%. Our preliminary results demonstrated that GCE/GONRs-CH provided a promising platform to detect all four DNA bases for future studies on DNA damage and mutations.

KEYWORDS

DNA; chitosan; graphene oxide nanoribbons; nanocomposite; nucleobases; voltammetry

Title

Graphene Oxide Nanoribbons in Chitosan for Simultaneous Electrochemical Detection of Guanine, Adenine, Thymine and Cytosine.

Author

Zhou J, Li S, Noroozifar M1, Kerman K1.

Publish date

2020 Mar 27

PMID

32227929

Abstract

The electrooxidation of thymine on screen-printed carbon electrodes was investigated utilizing different complementary instrumental approaches. The potential-dependent product profile was obtained by recording real-time mass voltammograms. Electrochemical flow cells with integrated disposable electrodes were directly coupled with mass spectrometry to facilitate a very fast detection of electrogenerated species. Thymine dimers were found at a potential of about 1.1 V in ammonium acetate (pH 7.0) and 1.25 V in ammonium hydrogen carbonate electrolyte (pH 8.0). Electrochemistry-capillary electrophoresis-mass spectrometry measurements revealed that two isobaric isomers of a dimeric oxidation product were formed. Separations at different time intervals between end of oxidation and start of separation showed that these were hydrated over time. An investigation of the pKa values by changing the separation conditions in electrochemistry-capillary electrophoresis-ultraviolet-visible spectroscopy measurements allowed for further characterization of the primary oxidation products. The results showed that both isomers exhibited two deprotonation steps. The oxidation products were further characterized by high-performance liquid chromatography-tandem mass spectrometry. Based on the obtained data, the main oxidation products of thymine in aqueous solution could most likely be identified as N(1)-C(5′) and N(1)-C(6′) linked dimer species evolving into the corresponding dimer hydrates over time. The presented methods for online characterization of electrochemically pretreated samples showed that not only mass spectrometric data can be obtained by electrochemistry-mass spectrometry but also further characterizations such as the investigation of product stability and the pH-dependent protonation or deprotonation behavior are possible. This is valid not only for stable oxidation products but also for intermediates, as analysis can be carried out within a short time scale. Thus, a vast amount of valuable experimental data can be acquired, which can help in understanding electrooxidation processes.

Title

Investigation of the Electrooxidation of Thymine on Screen-Printed Carbon Electrodes by Hyphenation of Electrochemistry and Mass Spectrometry.

Author

Herl T1, Matysik FM1.

Publish date

2020 Apr 15

PMID

31893915

Abstract

A new ab initio potential for the thymine dimer has been developed by using a combination of density functional theory and symmetry-adapted perturbation theory (DFT-SAPT). It has been shown that DFT-SAPT is in very good agreement with the reference CCSD(T) calculations performed for the hydrogen-bonded and stacked thymine dimers. Parallel global cluster optimizations have been carried out employing the new force field from the dimer to n = 50. It has been observed that the resulting cluster structures tend to form the building blocks of the crystal structure of thymine. This study therefore highlights the importance of dimer potentials to gain insights about the crystal structures.

KEYWORDS

electrospray ionization; hydration; mass spectrometry; nucleosides; thymine; uracil

Title

Towards the crystal structure of thymine: An intermolecular force field development and parallel global cluster optimizations.

Author

Tekin A1

Publish date

2019 Dec 28


Description :

Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM.