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Art. -Nr.: HY-189657

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NNRT-IN-18

NNRT-IN-18 is an orally active HIV-1 non-nucleoside reverse transcriptase (NNRT) inhibitor with broad-spectrum anti-HIV-1 activity. NNRT-IN-18 binds to the allosteric non-nucleoside inhibitor binding pocket and inhibits RT polymerase activity with an IC₅₀ of 0.259 μM. NNRT-IN-18 exhibits low cytotoxicity and a high selectivity index, and shows minimal inhibitory activity against major cytochrome P450 isoforms. NNRT-IN-18 retains activity against NNRTI-resistant HIV-1 mutant strains. NNRT-IN-18 can be used for research on HIV-1 infection.

Nur für Forschungszwecke. Wir verkaufen nicht an Patienten.

Formel: C₂₉H₃₅N₇O₄S
Molecular Weight:577.70

Speicherung:

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

NNRT-IN-18 Chemical Structure

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Preis

Verfügbarkeit

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Amount: USD 0.00

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Use of MCE Products

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

Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- Parmacokinetics
Chemical Information
Reinheit & Dokumentation
Verweise
Calculators
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

^[1]

HIV (IIIB)

0.002 μM (EC₅₀)

Alle HIV Isoform-spezifische Produkte anzeigen :

Alle Cytochrome P450 Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
MT4	EC50	0.002 μM	Antiviral activity against wild-type HIV-1 IIIB in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay. Antiviral activity against wild-type HIV-1 IIIB in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay.	acs.jmedchem.6c02358
MT4	CC₅₀	39.705 μM	Cytotoxicity against mock-infected MT-4 cells assessed as viability reduction by MTT assay. Cytotoxicity against mock-infected MT-4 cells assessed as viability reduction by MTT assay.	acs.jmedchem.6c02358
MT4	EC50	0.009 μM	Antiviral activity against HIV-1 L100I mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay. Antiviral activity against HIV-1 L100I mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay.	acs.jmedchem.6c02358
MT4	EC50	0.008 μM	Antiviral activity against HIV-1 K103N mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay. Antiviral activity against HIV-1 K103N mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay.	acs.jmedchem.6c02358
MT4	EC50	0.005 μM	Antiviral activity against HIV-1 Y181C mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay. Antiviral activity against HIV-1 Y181C mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay.	acs.jmedchem.6c02358
MT4	EC50	0.035 μM	Antiviral activity against HIV-1 Y188L mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay. Antiviral activity against HIV-1 Y188L mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay.	acs.jmedchem.6c02358
MT4	EC50	0.004 μM	Antiviral activity against HIV-1 E138K mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay. Antiviral activity against HIV-1 E138K mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay.	acs.jmedchem.6c02358
MT4	EC50	0.030 μM	Antiviral activity against HIV-1 F227L+V106A mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay. Antiviral activity against HIV-1 F227L+V106A mutant in MT-4 cells assessed as protection from HIV-1-induced cytopathogenicity by MTT assay.	acs.jmedchem.6c02358

In Vitro

Viral InfectionOthers

Viral Infection

NNRT-IN-18 (compound 9n) inhibits wild-type HIV-1 IIIB in MT-4 cells with EC₅₀ = 0.002 μM and CC₅₀ = 39.705 μM, and maintains single-digit nanomolar to low nanomolar EC₅₀ values against L100I, K103N, Y181C, Y188L, E138K, F227L/V106A, and RES056 mutant strains^[1].
NNRT-IN-18 inhibits wild-type HIV-1 reverse transcriptase in a cell-free ELISA enzyme assay with IC₅₀ = 0.259 μM^[1].

Others

NNRT-IN-18 exhibits low CYP inhibition, with an IC₅₀ ≥22.3 μM against CYP2D6 and IC₅₀ >25 μM against CYP1A2, CYP2C19, CYP2C9, CYP3A4-M, and CYP3A4-T^[1].
NNRT-IN-18 exhibits species-dependent hepatic microsomal stability^[1].

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

Related Protocols :

Parmacokinetics

Species	Dose	Route	C_max	T_max	T_1/2	AUC_0-t	AUC_0-∞	MRT_0-t	MRT_0-∞	CL	F
Rat^[1]	1 mg/kg	i.v.	293.000 ng/mL	0.083 h	2.267 h	133.157 ng/mL·h	136.596 ng/mL·h	0.803 h	1.075 h	7337.264 mL/h/kg	/
Rat^[1]	10 mg/kg	p.o.	39.667 ng/mL	0.500 h	1.946 h	98.070 ng/mL·h	104.664 ng/mL·h	2.471 h	3.054 h	/	7.66 %

Chemical Information

Molecular Weight 577.70
Formel C₂₉H₃₅N₇O₄S
SMILES

CC1=CC(C#N)=CC(C)=C1OC2=CC(N3CCC(O)C3)=NC(NC4CCN(CC5=CC=C(S(=O)(N)=O)C=C5)CC4)=N2
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

Handling Instructions (2659 KB)

Verweise

[1]. Zhang Y J, et al. Targeting the HIV-1 NNRTI Entrance Channel: Structure-Guided Optimization for Enhanced Safety and Selectivity. Journal of Medicinal Chemistry. 2026;69(18):21522-21537.

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.

Bioz

Keywords

MOQ

Minimum order quantity

100 mg

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- In Vitro
Chemical Information
Reinheit & Dokumentation
Verweise

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NNRT-IN-18

Alle HIV Isoform-spezifische Produkte anzeigen

Alle Cytochrome P450 Isoform-spezifische Produkte anzeigen