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Art. -Nr.: HY-181642

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nNOS-IN-3

nNOS-IN-3 (compound 4) is an orally active, selective, neuronal nitric oxide synthase (nNOS) inhibitor with a human hnNOS K_i of 25 nM, rat rnNOS K_i of 18 nM, human heNOS K_i of 58140 nM, human hiNOS K_i 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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Formel: C₁₇H₂₃Cl₂F₂N₃O
Molecular Weight:394.29

Speicherung:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (266 KB)

nNOS-IN-3 Chemical Structure

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biologische Aktivität
- Beschreibung
- In Vitro
- Parmacokinetics
- In Vivo
Chemical Information
Reinheit & Dokumentation
Verweise
Calculators
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

Alle NO Synthase Isoform-spezifische Produkte anzeigen :

In Vitro

nNOS-IN-3 (compound 4) potently inhibits human nNOS with a K_i 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 K_i 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.

Parmacokinetics

Species	Dose	Route	T_max	C_max	AUC_0-t	T_1/2	Bioavailability	C₀	AUC_last	CL	V_ss
Mice^[1]	3 mg/kg	i.v.	/	/	/	3.54 h	/	602.73 ng/mL	663.90	71.28 mL/min/kg	12.88 L/kg
Mice^[1]	10 mg/kg	p.o.	0.25 h	681.51 ng/mL	1713.32	2.36 h	77 %	/	/	/	/

In Vivo

nNOS-IN-3 (compound 4) (3-10 mg/kg; i.v., p.o.; single dose) exhibits favorable systemic pharmacokinetics, 77% oral bioavailability, and robust brain penetration with preferential accumulation in brain tissue of male C57BL/6 mice^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Chemical Information

Molecular Weight 394.29
Formel C₁₇H₂₃Cl₂F₂N₃O
SMILES

CC1=CC(COC2=C(C(F)=CC(CCN(C)C)=C2)F)=NC(N)=C1.Cl.Cl
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

Please store the product under the recommended conditions in the Certificate of Analysis.

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (266 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Ansari A, et al. Potent, Selective, and Brain Penetrant Ether-Linked 2-Aminopyridine Inhibitors of Human Neuronal Nitric Oxide Synthase with Excellent Oral Bioavailability. J Med Chem. 2026;69(3):3506-3518. [Content Brief]

Calculators

Molaritätsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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100 mg

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Biologische Aktivität
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- In Vivo
Chemical Information
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nNOS-IN-3

Alle NO Synthase Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Reinheit & Dokumentation

Verweise

Calculators

Help & FAQs

nNOS-IN-3 Related Classifications

HY-181642 Related Classifications