145289
4-Chloro-2-methylthiopyrimidine
98%
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About This Item
Empirical Formula (Hill Notation):
C5H5ClN2S
CAS Number:
Molecular Weight:
160.62
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
256-500-6
MDL number:
Assay:
98%
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
4-Chloro-2-methylthiopyrimidine was used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It was used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors. It was used as building block in medicinal chemistry synthesis.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
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
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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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 145289-10G | 04061838047205 |
| 145289-50G | 04061838118011 |