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Merck
CN

145289

4-氯-2-甲基巯基嘧啶

98%

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关于此项目

经验公式(希尔记法):
C5H5ClN2S
化学文摘社编号:
分子量:
160.62
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
256-500-6
MDL number:
Assay:
98%
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Quality Level

assay

98%

refractive index

n20/D 1.6 (lit.)

bp

139-140 °C/36 mmHg (lit.)

mp

−2 °C (lit.)

density

1.381 g/mL at 25 °C (lit.)

functional group

chloro, thioether

SMILES string

CSc1nccc(Cl)n1

InChI

1S/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3

InChI key

DFOHHQRGDOQMKG-UHFFFAOYSA-N

Application

用于药物化学合成的结构单元。


pictograms

Corrosion

signalword

Danger

hcodes

Hazard Classifications

Skin Corr. 1B

存储类别

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter



历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Peter J Manley et al.
Bioorganic & medicinal chemistry letters, 13(10), 1673-1677 (2003-05-06)
2,4-Disubstituted pyrimidines were synthesized as a novel class of KDR kinase inhibitors. Evaluation of the SAR of the screening lead compound 1 (KDR IC(50)=105 nM, Cell IC(50)=8% inhibition at 500 nM) led to the potent 3,5-dimethylaniline derivative 2d (KDR IC(50)=6
David D Davey et al.
Journal of medicinal chemistry, 50(6), 1146-1157 (2007-02-24)
By the screening of a combinatorial library for inhibitors of nitric oxide (NO) formation by the inducible isoform of nitric oxide synthase (iNOS) using a whole-cell assay, 2-(imidazol-1-yl)pyrimidines were identified. Compounds were found to inhibit the dimerization of iNOS monomers
Pyrimidines. XIII. 2-and 6-substituted 4-pyrimidinecarboxylic acids.
Daves GD, et al.
Journal of Heterocyclic Chemistry, 1(3), 130-133 (1964)



全球贸易项目编号

货号GTIN
145289-10G04061838047205
145289-50G04061838118011