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5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid methyl ester

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Category Cytomegalovirus (CMV)
CAS 391680-92-5
Description pUL89 Endonuclease-IN-1 (Compound 13d) is a potent inhibitor of human cytomegalovirus (HCMV) pUL89 endonuclease with the IC50 value of 0.88 μM and has antiviral activitiy.
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Product Information

IUPAC Name methyl 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylate
Molecular Weight 252.25
Molecular Formula C10H8N2O4S
Canonical SMILES COC(=O)C1=C(C(=O)NC(=N1)C2=CC=CS2)O
InChI InChI=1S/C10H8N2O4S/c1-16-10(15)6-7(13)9(14)12-8(11-6)5-3-2-4-17-5/h2-4,13H,1H3,(H,11,12,14)
InChIKey QAIMSDCSXBBWEK-UHFFFAOYSA-N
Purity ≥98% (HPLC)
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
In Vitro pUL89 Endonuclease-IN-1 (compound 13d) is strongly inhibited pUL89-C with the values of IC500.88μM. pUL89 Endonuclease-IN-1 reveals excellent aqueous solubility, plasma stability, and Metabolic stability in vitro ADME. pUL89 Endonuclease-IN-1 displays moderately permeability in the PAMPA.
Target IC50:0.88μM (pUL89-C)

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