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CBS1194

CAT: 0931-T68413-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68413-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
901259-15-2
Target
Others
Related Pathways
Others
Bioactivity
CBS1194 is a novel antiviral agent against influenza A virus (IAV), and is more specifically, a group 2 IAV fusion inhibitor. CBS1194 prevents membrane fusion of the virus through the inhibition of the conformational change of hemagglutinin (HA) . CBS1194 causes steric hinderance that prevents the rearrangement of the HA that would normally be induced by low-pH, by fitting into the pocket by the fusion peptide.
Smiles
N(C=1N2C(=NC1C3=CC(Br)=CC=C3)N=C(C)C=C2C)C=4C=C5C(=CC4)OCCO5
Molecular Formula
C22H19BrN4O2
Molecular Weight
451.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(3-Bromophenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
CAS Number901259-15-2
PubChem CID20851727
IUPAC Name2-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
Molecular FormulaC22H19BrN4O2
Molecular Weight451.3
XLogP5.9
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity569
SMILES
CC1=CC(=NC2=NC(=C(N12)NC3=CC4=C(C=C3)OCCO4)C5=CC(=CC=C5)Br)C
InChI
InChI=1S/C22H19BrN4O2/c1-13-10-14(2)27-21(25-17-6-7-18-19(12-17)29-9-8-28-18)20(26-22(27)24-13)15-4-3-5-16(23)11-15/h3-7,10-12,25H,8-9H2,1-2H3
InChIKey
KCLAAMVCRHVUGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromophenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
CAS: 901259-15-2
CID: 20851727
Formula: C22H19BrN4O2
MW: 451.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.3
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass450.06914
Monoisotopic Mass450.06914
Topological Polar Surface Area60.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity569
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

Related Products

CatalogName
T8793-01CBS1117

Alternative Products

CatalogName
GTR19211635-01CBS1194

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