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BPR3P0128

CAT: 0931-T85904-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T85904-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1345406-09-8
Target
SARS-CoV
Related Pathways
Microbiology/Virology
Bioactivity
BPR3P0128, a non-nucleoside RNA-dependent RNA polymerase (RdRp) inhibitor, is effective orally and can inhibit various SARS-CoV-2 variants. It exhibits EC 50 values of 0.62 μM for SARS-CoV-2 and 0.14 μM for HCoV-229E, demonstrating potent anti-pancoronavirus activity at submicromolar concentrations. Additionally, BPR3P0128 displays synergistic antiviral effects when used in combination with Remdesivir [1].
Smiles
CC1=C(C2=NC3=C(C(C(O)=O)=C2)C=C(Br)C=C3)C=NN1C4=C(C)C=CC(C)=C4
Molecular Formula
C22H18BrN3O2
Molecular Weight
436.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Bromo-2-(1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CAS Number1345406-09-8
PubChem CID53472862
IUPAC Name6-bromo-2-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxylic acid
Molecular FormulaC22H18BrN3O2
Molecular Weight436.3
XLogP5.2
Topological Polar Surface Area68
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity576
SMILES
CC1=CC(=C(C=C1)C)N2C(=C(C=N2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)O)C
InChI
InChI=1S/C22H18BrN3O2/c1-12-4-5-13(2)21(8-12)26-14(3)18(11-24-26)20-10-17(22(27)28)16-9-15(23)6-7-19(16)25-20/h4-11H,1-3H3,(H,27,28)
InChIKey
JXQKIGDGFGLLMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-2-(1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CAS: 1345406-09-8
CID: 53472862
Formula: C22H18BrN3O2
MW: 436.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.3
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass435.05824
Monoisotopic Mass435.05824
Topological Polar Surface Area68 Ų
Heavy Atom Count28
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19236423-01BPR3P0128

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