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DENV-IN-4

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Category Human immunodeficiency Virus (HIV)
CAS 2762302-75-8
Description DENV-IN-4 is a specific inhibitor targeting the Dengue virus (DENV), specifically the serotype 4. Dengue fever is caused by four different serotypes of the virus (DENV-1 to DENV-4), and researchers develop inhibitors and vaccines to combat each serotype. DENV-IN-4 would be a compound or drug designed to inhibit the activity of the Dengue virus serotype 4, potentially by interfering with the virus's ability to replicate or bind to host cells. These inhibitors are crucial for developing treatments and vaccines against dengue fever, especially in regions where the virus is endemic.
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Product Information

Synonyms 1H-Imidazo[1,5-a]indol-1-one, 3-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-2,3,9,9a-tetrahydro-2-[(4-nitrophenyl)amino]-, (3R,9aS)-; (3R,9aS)-3-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]phenyl]-2,3,9,9a-tetrahydro-2-[(4-nitrophenyl)amino]-1H-imidazo[1,5-a]indol-1-one; (3R,9aS)-3-(4-((tert-Butyldimethylsilyl)oxy)phenyl)-2-((4-nitrophenyl)amino)-2,3,9,9a-tetrahydro-1H-imidazo[1,5-a]indol-1-one
IUPAC Name (1R,3aS)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(4-nitroanilino)-3a,4-dihydro-1H-imidazo[1,5-a]indol-3-one
Molecular Weight 516.66
Molecular Formula C28H32N4O4Si
Canonical SMILES O=C1N(NC2=CC=C(C=C2)N(=O)=O)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)N4C=5C=CC=CC5CC14
InChI InChI=1S/C28H32N4O4Si/c1-28(2,3)37(4,5)36-23-16-10-19(11-17-23)26-30-24-9-7-6-8-20(24)18-25(30)27(33)31(26)29-21-12-14-22(15-13-21)32(34)35/h6-17,25-26,29H,18H2,1-5H3/t25-,26+/m0/s1
InChIKey ZDPOOVOOOPKULV-IZZNHLLZSA-N
Boiling Point 615.5±65.0 °C at 760 mmHg
Purity ≥98% by HPLC
Density 1.27±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 842
Exact Mass 516.21928205
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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