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DENV-IN-5

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Category Human immunodeficiency Virus (HIV)
CAS 2762302-75-8
Description DENV-IN-5 (Compound 4b) is a dengue virus (DENV) inhibitor with EC50s of 1.47, 9.23, 7.08 and 8.91 μM against DENV-I - IV replication, respectively. DENV-IN-5 also inhibits HIV-1IIIB strain with an EC50 of 0.1512 μM.
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Product Information

Synonyms DENV-IN-5|SCHEMBL21346327|HY-143274|CS-0434019|2-[[4-chloro-5-(3,4-difluorophenyl)-1H-pyrazol-3-yl]methylsulfanyl]-4-(cyclohexylmethyl)-5-ethyl-1H-pyrimidin-6-one
Molecular Weight 516.66
Molecular Formula C23H25ClF2N4OS
Canonical SMILES CCC1=C(N=C(NC1=O)SCC2=C(C(=NN2)C3=CC(=C(C=C3)F)F)Cl)CC4CCCCC4
Purity ≥98% (HPLC)
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 746
Exact Mass 478.1405666
In Vitro DENV-IN-4 (compound 15) (0.064-200 μM; 3 days) has antiviral effects independent of its toxicity (DENV EC50 = 4.79 μM, Vero CC50>100, SI>20.9).
DENV-IN-4 (3.125-50 μM in Vero and 3.75-30 μM in A549 and Huh-7; 48 h) inhibits the expression level of DENV2 and is concentration-dependent with a smoother inhibition curve in Vero.
DENV-IN-4 (7.5 and 15 μM; 48 h) potently inhibits DENV infection in Vero cells and is completely inhibited at 15 μM.
DENV-IN-4(0-15μM; 48 h) inhibits the production of DENV2E protein in Vero cells with good concentration dependence.
Result: The antiviral effect of DENV-IN-4 was shown to be independent of its toxicity (Vero EC50 = 4.79 μM, CC50>100, SI>20.9).
Target HIV (IIIB): 0.1512 μM (EC50)
DENV-I: 1.47 μM (EC50)
DENV-III: 7.08 μM (EC50)
DENV-IV: 8.91 μM (EC50)
DENV-II: 9.23 μM (EC50)
XLogP3-AA 6.3

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