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5,6-dimethyl-2-Thiouracil Sale

(Synonyms: 5,6-二甲基--2-硫脲嘧啶) 目录号 : GC46075

A heterocyclic building block

5,6-dimethyl-2-Thiouracil Chemical Structure

Cas No.:28456-54-4

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500mg
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1g
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5g
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产品描述

5,6-dimethyl-2-Thiouracil is a heterocyclic building block that has been used in the synthesis of anti-HIV-1 pyrimidinones.1 It has also been used as an internal standard for the quantification of thyreostats, including 2-thiouracil, in bovine plasma.2

|1. Navrotskii, M.B. Synthesis and anti-HIV-1 activity of new 2-[(2-phthalimidoethyl)thio]-4(3H)-pyrimidinone derivatives. Pharm. Chem. J. 39(9), 466-467 (2005).|2. Schmidt, K.S. In-house validation and factorial effect analysis of a liquid chromatography-tandem mass spectrometry method for the determination of thyreostats in bovine blood plasma. Anal. Bioanal. Chem. 406(3), 735-743 (2014).

Chemical Properties

Cas No. 28456-54-4 SDF
别名 5,6-二甲基--2-硫脲嘧啶
Canonical SMILES O=C1C(C)=C(C)NC(N1)=S
分子式 C6H8N2OS 分子量 156.2
溶解度 DMF: 15mg/mL,DMF:PBS (pH 7.2) (1:4): 0.2mg/mL,DMSO: 10mg/mL 储存条件 Store at -20°C
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溶解性数据

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1 mg 5 mg 10 mg
1 mM 6.402 mL 32.0102 mL 64.0205 mL
5 mM 1.2804 mL 6.402 mL 12.8041 mL
10 mM 0.6402 mL 3.201 mL 6.402 mL
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Research Update

N-H···S and N-H···O hydrogen bonds: 'pure' and 'mixed' R2(2)(8) patterns in the crystal structures of eight 2-thiouracil derivatives

Acta Crystallogr C Struct Chem 2014 Feb;70(Pt 2):241-9.PMID:24508978DOI:10.1107/S2053229614001387.

The preferred hydrogen-bonding patterns in the crystal structures of 5-propyl-2-thiouracil, C7H10N2OS, (I), 5-methoxy-2-thiouracil, C5H6N2O2S, (II), 5-methoxy-2-thiouracil-N,N-dimethylacetamide (1/1), C5H6N2O2S·C4H9NO, (IIa), 5,6-dimethyl-2-Thiouracil, C6H8N2OS, (III), 5,6-dimethyl-2-thiouracil-1-methylpyrrolidin-2-one (1/1), C6H8N2OS·C5H9NO, (IIIa), 5,6-dimethyl-2-thiouracil-N,N-dimethylformamide (2/1), 2C6H8N2OS·C3H7NO, (IIIb), 5,6-dimethyl-2-thiouracil-N,N-dimethylacetamide (2/1), 2C6H8N2OS·C4H9NO, (IIIc), and 5,6-dimethyl-2-thiouracil-dimethyl sulfoxide (2/1), 2C6H8N2OS·C2H6OS, (IIId), were analysed. All eight structures contain R(2)(2)(8) patterns. In (II), (IIa), (III) and (IIIa), they are formed by two N-H···S hydrogen bonds, and in (I) by alternating pairs of N-H···S and N-H···O hydrogen bonds. In contrast, the structures of (IIIb), (IIIc) and (IIId) contain 'mixed' R(2)(2)(8) patterns with one N-H···S and one N-H···O hydrogen bond, as well as R(2)(2)(8) motifs with two N-H···O hydrogen bonds.

Analysis of thyreostatic drugs in thyroid samples by ultra-performance liquid chromatography tandem mass spectrometry detection

Anal Chim Acta 2008 Jun 9;617(1-2):184-91.PMID:18486656DOI:10.1016/j.aca.2007.12.018.

A method based on ultra-performance liquid chromatography-electrospray ionisation-tandem mass spectrometry for the determination of six thyreostatic drugs in thyroid tissue has been optimised and validated in accordance with the Decision 2002/657/EC. Samples are extracted with methanol and the extracts cleaned-up on silica cartridges. The recoveries range from 40% for 6-phenyl-2-thiouracil to 79% for 2-thiouracil. Quantification is carried out with blank tissue samples spiked with the analytes in the range 25-500 microg kg(-1). 5,6-dimethyl-2-Thiouracil is used as internal standard. CCalpha and CCbeta are in the ranges 4.3-16.1 microg kg(-1) and 8.7-20.7 microg kg(-1), respectively. Accuracy, expressed as percentage of error, is lower than 6% and relative standard deviation in reproducibility conditions falls between 5.6 and 10.3%. Nowadays, the proposed method is routinely implemented in the laboratory of the Agència de Salut Pública de Barcelona and allows processing of up to 20 samples per day.

Analysis of thyreostatic drugs in thyroid samples by liquid chromatography tandem mass spectrometry: comparison of two sample treatment strategies

J Chromatogr A 2008 Oct 17;1207(1-2):17-23.PMID:18768184DOI:10.1016/j.chroma.2008.08.018.

A method based on ultra-performance liquid chromatography-electrospray ionisation-tandem mass spectrometry (UPLC-MS/MS) for the determination of six thyreostatic drugs in thyroid tissue has been optimised and validated in accordance with Decision 2002/657/EC. Sample extraction was evaluated in methanol and in ethyl acetate, the latter which gave better results. Two clean-up strategies were compared: one based on silica cartridges (SPE), and the other, on gel permeation chromatography (GPC). Recoveries ranged from 40% to 79% for the SPE approach and from 80% to 109% for GPC. Quantification was performed with blank tissue samples spiked with the analytes in the range 50-500microgkg(-1). 5,6-dimethyl-2-Thiouracil and 2-mercaptobenzimidazole-d(4) were used as internal standards. Decision limit (CCalpha) and detection capability (CCbeta) ranged from 1 to 15microgkg(-1) and from 6 to 25microgkg(-1), respectively. The accuracy of the method was calculated as percent error, which was less than 10%. The relative standard deviation in reproducibility conditions ranged between 2% and 14%.