RdRP-IN-3

Category	SARS-CoV
CAS	2641299-75-2
Description	RdRP-IN-3 is a small molecule inhibitor targeting the RNA-dependent RNA polymerase (RdRP) enzyme, which is essential for the replication of RNA viruses. By inhibiting RdRP, RdRP-IN-3 disrupts the viral replication process, potentially reducing the viral load and alleviating the severity of infections caused by RNA viruses. This makes RdRP-IN-3 a candidate for antiviral therapy against diseases caused by such viruses, offering a strategic approach to managing viral infections and improving treatment outcomes.

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Product Information

Synonyms	1H-[1,4]Oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione, 12-(5H-dibenzo[a,d]cyclohepten-5-yl)-3,4,12,12a-tetrahydro-7-hydroxy-, (12aR)-; (12aR)-12-(5H-Dibenzo[a,d]cyclohepten-5-yl)-3,4,12,12a-tetrahydro-7-hydroxy-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione; (12aR)-12-(5H-Dibenzo[a,d][7]annulen-5-yl)-7-hydroxy-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione; (R)-12-(5H-Dibenzo[a,d][7]annulen-5-yl)-7-hydroxy-3,4,12,12a-tetrahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
IUPAC Name	(3R)-11-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
Molecular Weight	427.45
Molecular Formula	C25H21N3O4
Canonical SMILES	O=C1C=CN2C(C(=O)N3CCOCC3N2C4C=5C=CC=CC5C=CC=6C=CC=CC64)=C1O
InChI	InChI=1S/C25H21N3O4/c29-20-11-12-27-23(24(20)30)25(31)26-13-14-32-15-21(26)28(27)22-18-7-3-1-5-16(18)9-10-17-6-2-4-8-19(17)22/h1-12,21-22,30H,13-15H2/t21-/m1/s1
InChIKey	IEGBSIJWHKBVKY-OAQYLSRUSA-N
Boiling Point	663.7±65.0 °C at 760 mmHg
Purity	≥95%
Density	1.51±0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	White to off-white solid
Storage	Store at -20 °C
Complexity	870
Exact Mass	427.15320616
In Vitro	RdRP-IN-2 (Compound 17) completely inhibits the replication of both SARS-CoV-2 and Feline coronavirus (FIPV). RdRP-IN-2 is not cytotoxic for Vero and CRFK cells. RdRP-IN-2 (Compound 17) shows anti-SARS-CoV-2 activities with an EC50 value of 527.3 nM in Vero cells.
Target	SARS-CoV
XLogP3-AA	6.3