NNRT-IN-13
NNRT-IN-13 is a potent non-nucleoside reverse transcriptase (NNRT) inhibitor that directly inhibiting HIV-1 reverse transcriptase (IC₅₀ = 0.25 μM). NNRT-IN-13 exhibits excellent antiviral activity against wild-type HIV-1 (EC₅₀ = 0.0046 μM) and a broad spectrum of drug-resistant mutants. NNRT-IN-13 exhibits favorable in vivo metabolic and safety profiles. NNRT-IN-13 can be used for human immunodeficiency virus (HIV) research.
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- Fòrmula: C31H34N8O4S
- Peso molecular:614.72
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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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Actividad biológica
Descripciòn
In Vitro
NNRT-IN-13 (compound 15k) exhibits excellent activity against wild-type HIV-1 (EC₅₀ = 0.0046 μM) and a broad spectrum of drug-resistant mutants, including L100I (0.0053 μM), K103N (0.0034 μM), Y181C (0.010 μM), Y188L (0.026 μM), E138 K (0.015 μM), F227L/V106A (0.033μM), and K103N/Y181C (0.029 μM), while displaying low cytotoxicity in MT-4 cells (CC50 = 26.64 μM)[1].
NNRT-IN-13 binds HIV-1 reverse transcriptase in a unique "Y-shaped" mode, forming novel hydrogen bonds with the p51-p66 interface residues E138 and K101[1].
NNRT-IN-13 exhibits no inhibition toward CYP1A2, CYP2C9, CYP2C19, and CYP2D6, with IC50 values exceeding 50 μM, and shows weak inhibition of CYP3A4M (IC50 = 13.6 μM)[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Parmacokinetics
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Kunming mice[1]
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Dosage:2000 mg/kg
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Administration:i.p., single dose
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Result:Showed no mortality or adverse toxicity signs, including anorexia, lethargy, alopecia, or dyspnea.
Exhibited steady weight gain over the seven-day observation period, with no significant differences compared to control.
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Animal Model:Kunming mice[1]
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Dosage:50 mg/kg
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Administration:i.p., every other day for 14 days
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Result:Showed no apparent toxicity signs or behavioral abnormalities (such as lethargy, clonic convulsions, anorexia, and ruffled fur.
Gained normal body weight and were equivalent to those of the control group.
Exhibited no visible pathological changes or lesions were detected in the heart, liver, spleen, lungs, or kidneys.
Chemical Information
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Peso molecular 614.72
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Fòrmula C31H34N8O4S
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SMILES
O=S(C1=CC=C(CN2CCC(NC3=NC(OC4=C(C=C(C=C4C)/C=C/C#N)C)=CC(NCC5=COC=N5)=N3)CC2)C=C1)(N)=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)
NNRT-IN-13 Related Classifications
HY-178341 Related Classifications
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