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Quoromycin

CAT: 0013-GTR19210047-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210047-03Size:100 mg
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Description
Quoromycin is a novel small molecule antivirulence agent that targets the quorum-sensing regulator SmcR in Vibrio vulnificus. By reducing SmcR's DNA-binding affinity, it effectively attenuates bacterial virulence, as demonstrated in both in vitro assays and in vivo infection models, making it a valuable research tool for studying bacterial pathogenesis and antivirulence strategies.
CAS Number
205514-29-0
Smiles
S (=O) (=O) (C1=CC=C (C#N) C=N1) C2=CC=CC=C2
Molecular Formula
C12H8N2O2S
Molecular Weight
244.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Phenylsulphonylpyridine-5-carbonitrile
CAS Number205514-29-0
PubChem CID2737164
IUPAC Name6-(benzenesulfonyl)pyridine-3-carbonitrile
Molecular FormulaC12H8N2O2S
Molecular Weight244.27
XLogP1.7
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity398
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C12H8N2O2S/c13-8-10-6-7-12(14-9-10)17(15,16)11-4-2-1-3-5-11/h1-7,9H
InChIKey
WLMRLYWAJRGRKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylsulphonylpyridine-5-carbonitrile
CAS: 205514-29-0
CID: 2737164
Formula: C12H8N2O2S
MW: 244.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.27
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass244.03064868
Monoisotopic Mass244.03064868
Topological Polar Surface Area79.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity398
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
MBS5812500Quoromycin

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