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5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER

Names

[ CAS No. ]:
391680-92-5

[ Name ]:
5,6-DIHYDROXY-2-THIOPHEN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER

[Synonym ]:
5,6-Dihydroxy-2-thiophen-2-yl-pyrimidine-4-carboxylic acid methyl ester
methyl 5,6-dihydroxy-2-thien-2-ylpyrimidine-4-carboxylate
4-Pyrimidinecarboxylic acid,5,6-dihydroxy-2-(2-thienyl)-,methyl ester
methyl 2-(2-thienyl)-4,5-dihydroxypyrimidine-6-carboxylate
(6E)-6-[hydroxy(methoxy)methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione

Biological Activity

[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[1].

[Related Catalog]:

Research Areas >> Infection
Signaling Pathways >> Anti-infection >> CMV

[Target]

IC50:0.88μM (pUL89-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[1]. Cell Cytotoxicity Assay[1] Cell Line: HFF cells Concentration: 5 μM Incubation Time: 168 h Result: Showed significant inhibition for HCMV at 5 μM.

[References]

[1]. Tianyu He, et al. 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem. 2022 Apr 14;65(7):5830-5849.

[2]. ianyu He, et al. 4,5-Dihydroxypyrimidine Methyl Carboxylates, Carboxylic Acids, and Carboxamides as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease. J Med Chem. 2022 Apr 14;65(7):5830-5849.

Chemical & Physical Properties

[ Molecular Formula ]:
C10H8N2O4S

[ Molecular Weight ]:
252.24700

[ Exact Mass ]:
252.02000

[ PSA ]:
120.52000

[ LogP ]:
0.99060

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream