nNOS-IN-3
nNOS-IN-3 (compound 4) is an orally active, selective, neuronal nitric oxide synthase (nNOS) inhibitor with a human hnNOS Ki of 25 nM, rat rnNOS Ki of 18 nM, human heNOS Ki of 58140 nM, human hiNOS Ki of 6422 nM. nNOS-IN-3 binds to nNOS active sites via hydrogen bonds with Glu and chalcogen bonds with Met, fails to form chalcogen bonds with heNOS, and undergoes passive transcellular transport with minimal efflux liability. nNOS-IN-3 can be used for the research of neurodegenerative diseases and melanoma.
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- Formule: C17H23Cl2F2N3O
- Masse moléculaire:394.29
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Stockage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Activité biologique
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Chemical Information
- Pureté et documentation
- Références
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Help & FAQs
Activité biologique
nNOS-IN-3 (compound 4) potently inhibits human nNOS with a Ki of 25 nM, and shows 2335-fold selectivity over human eNOS and 256-fold selectivity over human iNOS; it also inhibits rat nNOS with a Ki of 18 nM[1].
nNOS-IN-3 (200 μM; 17 h) exhibits favorable blood-brain barrier permeability in the PAMPA-BBB assay with an effective permeability of 16.67×10-6 cm/s, qualifying it as CNS-permeant[1].
nNOS-IN-3 shows high passive transcellular permeability in the Caco-2 assay, with an efflux ratio of 0.87 indicating minimal active efflux liability, supporting efficient intestinal absorption and blood-brain barrier penetration[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.
Chemical Information
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Masse moléculaire 394.29
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Formule C17H23Cl2F2N3O
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SMILES
CC1=CC(COC2=C(C(F)=CC(CCN(C)C)=C2)F)=NC(N)=C1.Cl.Cl
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureté et documentation
Références
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
nNOS-IN-3 Related Classifications
HY-181642 Related Classifications
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