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ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Names

[ CAS No. ]:
5948-75-4

[ Name ]:
ethyl 4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-1,4-dihydropyrimidine-5-carboxylate

[Synonym ]:
Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-, ethyl ester
5-pyrimidinecarboxylic acid, 1,4-dihydro-4-(4-hydroxy-3-methoxyphenyl)-2-mercapto-6-methyl-, ethyl ester
5-pyrimidinecarboxylic acid, 1,6-dihydro-6-(4-hydroxy-3-methoxyphenyl)-2-mercapto-4-methyl-, ethyl ester
ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Ethyl 6-(4-hydroxy-3-methoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylate
MFCD02331148
Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanyl-1,4-dihydropyrimidine-5-carboxylate

Biological Activity

[Description]:

gp120-IN-1 (compound 4e) is a potent HIV-1 gp120 inhibitor with an IC50 of 2.2 µM and CC50 of 100.90 µM. gp120-IN-1 shows anti-HIV-1 activity. gp120-IN-1 shows cytotoxicity in a dose dependent manner in SUP-T1 cells. gp120-IN-1 shows inhibition of gp120-mediated virus enter into cells[1].

[Related Catalog]:

Signaling Pathways >> Anti-infection >> HIV
Research Areas >> Inflammation/Immunology

[Target]

HIV-1:2.2 μM (IC50)

HIV-1:100.90 μM (CC50)


[References]

[1]. Senapathi J, et al. Design, Synthesis, and Antiviral activity of 1,2,3,4-Tetrahydropyrimidine derivatives acting as novel entry inhibitors to target at "Phe43 cavity" of HIV-1 gp120. Bioorg Med Chem. 2021 Dec 15;52:116526.

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
462.4±55.0 °C at 760 mmHg

[ Molecular Formula ]:
C15H18N2O4S

[ Molecular Weight ]:
322.38

[ Flash Point ]:
233.5±31.5 °C

[ Exact Mass ]:
322.098724

[ LogP ]:
1.88

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.633

Related Compounds