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MBX2546

CAT: 0013-GTR19197114-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197114-01Size:25 mg
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Description
MBX2546 is a small molecule influenza A virus fusion inhibitor that functions by binding to and stabilizing the hemagglutinin (HA) stem, thereby blocking HA-mediated membrane fusion and viral entry. It is a valuable research tool for studying influenza virus entry mechanisms and evaluating antiviral strategies in both in vitro and in vivo experimental models.
CAS Number
695160-12-4
Field of Research
Infectious Disease & Virology
Smiles
CC1=CC (NC (=O) CN (C2=CC (=CC=C2C) [N+] ([O-]) =O) S (C) (=O) =O) =CC (C) =C1
Molecular Formula
C18H21N3O5S
Molecular Weight
391.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(3,5-dimethylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CAS Number695160-12-4
PubChem CID1305065
IUPAC NameN-(3,5-dimethylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
Molecular FormulaC18H21N3O5S
Molecular Weight391.4
XLogP2.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity632
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC(=CC(=C2)C)C)S(=O)(=O)C
InChI
InChI=1S/C18H21N3O5S/c1-12-7-13(2)9-15(8-12)19-18(22)11-20(27(4,25)26)17-10-16(21(23)24)6-5-14(17)3/h5-10H,11H2,1-4H3,(H,19,22)
InChIKey
XPPCEUZUDQSVQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,5-dimethylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CAS: 695160-12-4
CID: 1305065
Formula: C18H21N3O5S
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass391.12019195
Monoisotopic Mass391.12019195
Topological Polar Surface Area121 Ų
Heavy Atom Count27
Formal Charge0
Complexity632
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

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CatalogName
VCB16012-01MBX2546

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