VNRX-14079
VNRX-14079 is an antibacterial agent and PBP2 inhibitor, with an IC50 value of 1.7 μM against wild-type Neisseria gonorrhoeae PBP2. VNRX-14079 forms a covalent bond with Ser310 of PBP2, interacts with multiple residues of PBP2 to stabilize the complex, and induces an inward conformational change of the β3-β4 loop in chimeric PBP2. VNRX-14079 exhibits antibacterial activity against Ceftriaxone (HY-B0712)-resistant Neisseria gonorrhoeae strains. VNRX-14079 can be used in the research of gonorrhea.
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- No. CAS: 2872654-37-8
- Fòrmula: C22H22BF2N4O12PS
- Peso molecular:646.28
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Almacenamiento:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Actividad biológica
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Chemical Information
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Help & FAQs
Actividad biológica
VNRX-14079 binds to PBP2 of wild-type *Neisseria gonorrhoeae* (strain FA19) with an IC50 of 1.7 µM[1].
VNRX-14079 binds to chimeric Neisseria gonorrhoeae PBP2 from strain H041, with an IC50 of 3.0 µM[1].
VNRX-14079 (24 h) exhibits potent antibacterial activity against most Neisseria gonorrhoeae strains producing non-mosaic and mosaic PBP2[1].
VNRX-14079 (4× MIC-16× MIC; 2-24 h) exhibits rapid bactericidal activity against *Neisseria gonorrhoeae* ATCC 49226, WHO Q and H041. At 4× and 16× MIC, it reduces bacterial counts by ≥2 log10 within 6 hours and lowers them to undetectable levels within 24 hours[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:NCI BALB/c (female, 6-7 weeks old, pretreated with 17β oestradiol and antibiotics to suppress commensal microbiota, vaginally infected with ceftriaxone-resistant Neisseria gonorrhoeae H041)[1]
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Dosage:10 mg/kg; 200 mg/kg; 150 mg/kg
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Administration:s.c.; q12h (total 2 doses on day 1); q24h (single dose on day 1); q8h (total 3 doses on day 1)
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Result:Achieved 80% bacterial clearance by day 4 with statistically significant reduction in culture-positive mice relative to vehicle controls (P < 0.01) at 10 mg/kg q12h.
Achieved 100% clearance by day 3 with predicted 44% free unbound drug concentration above the MIC over 24 hours at 200 mg/kg q24h.
Resulted in 90% clearance by day 2 at 150 mg/kg q12h.
Achieved 100% clearance by day 2 at 150 mg/kg q8h.
Showed reduced average bacterial burden consistent with clearance rates across all doses.
Detected no evolution of spontaneous gonococcal mutants or adverse effects across all doses.
Chemical Information
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No. CAS 2872654-37-8
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Peso molecular 646.28
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Fòrmula C22H22BF2N4O12PS
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SMILES
O=C(O)C1=C(F)C=CC(C2)=C1OB(O)[C@H]2NC([C@H](NC(N3C(N(S(=O)(C)=O)CC3)=O)=O)C4=CC=C(P(O)(O)=O)C(F)=C4)=O
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureza y Documentación
Referencias
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
VNRX-14079 Related Classifications
HY-183080 Related Classifications
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