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DNA ligase-IN-2

CAT: 0013-GTR19250253-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250253-01Size:10 mg
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Description
DNA ligase-IN-2 is a potent inhibitor of Staphylococcus aureus LigA, exhibiting an IC50 of 29 nM against its adenylation activity. It demonstrates potent anti-staphylococcal activity in vitro (MIC = 1 μg/mL) while showing significantly less activity against E. coli. This inhibitor is a valuable tool for studying bacterial DNA replication and ligase-targeted antibacterial research.
CAS Number
635681-64-0
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Smiles
O=C (N) C1=CC=2C (=O) C3=CC (F) =CC=C3OC2N=C1N
Molecular Formula
C13H8FN3O3
Molecular Weight
273.219
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
CAS Number635681-64-0
PubChem CID10038928
IUPAC Name2-amino-7-fluoro-5-oxochromeno[2,3-b]pyridine-3-carboxamide
Molecular FormulaC13H8FN3O3
Molecular Weight273.22
XLogP1.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity433
SMILES
C1=CC2=C(C=C1F)C(=O)C3=CC(=C(N=C3O2)N)C(=O)N
InChI
InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19)
InChIKey
GCHMLYYPYFXLQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
CAS: 635681-64-0
CID: 10038928
Formula: C13H8FN3O3
MW: 273.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.22
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass273.05496929
Monoisotopic Mass273.05496929
Topological Polar Surface Area108 Ų
Heavy Atom Count20
Formal Charge0
Complexity433
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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