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H052

CAT: 0013-GTR19258048-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258048-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
H052 is a selective inhibitor of Staphylococcus aureus α-hemolysin (Hla) . It binds to the Hla monomer, disrupting its interaction with the host cell membrane, thereby blocking pore formation and inhibiting calcium influx, cytotoxicity, and inflammatory response. H052 exhibits inhibitory activity against Hla-induced calcium influx (EC50 = 30 nM in U937 cells) and holds potential for research into lung infections caused by S. aureus.
CAS Number
2886748-00-9
Field of Research
Infectious Disease & Virology, Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C1NC=2C=C (C (=CC2NC1=O) S (=O) (=O) NC3=CC=C (C (Cl) =C3) C=4C=CC (F) =CC4) C
Molecular Formula
C21H15ClFN3O4S
Molecular Weight
459.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-chloro-4-(4-fluorophenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CAS Number2886748-00-9
PubChem CID166464252
IUPAC NameN-[3-chloro-4-(4-fluorophenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
Molecular FormulaC21H15ClFN3O4S
Molecular Weight459.9
XLogP3.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity799
SMILES
CC1=CC2=C(C=C1S(=O)(=O)NC3=CC(=C(C=C3)C4=CC=C(C=C4)F)Cl)NC(=O)C(=O)N2
InChI
InChI=1S/C21H15ClFN3O4S/c1-11-8-17-18(25-21(28)20(27)24-17)10-19(11)31(29,30)26-14-6-7-15(16(22)9-14)12-2-4-13(23)5-3-12/h2-10,26H,1H3,(H,24,27)(H,25,28)
InChIKey
KUVPSVFGKFGCJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-chloro-4-(4-fluorophenyl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CAS: 2886748-00-9
CID: 166464252
Formula: C21H15ClFN3O4S
MW: 459.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.9
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass459.0455830
Monoisotopic Mass459.0455830
Topological Polar Surface Area113 Ų
Heavy Atom Count31
Formal Charge0
Complexity799
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
T207113-01H052

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