DNDI-VL-2098

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DNDI-VL-2098 is an orally active antileishmanial agent. DNDI-VL-2098 exhibits high permeability, in vitro metabolic stability, and selective inhibition of CYP2C19 (IC₅₀=0.47 μM). DNDI-VL-2098 does not affect the activities of other major CYP enzymes (CYP1A2, CYP2C9, CYP2D6 and CYP3A4) at concentrations up to 12.5 μM. It shows favorable pharmacokinetic properties in multiple animal models including mice, hamsters, rats and dogs. DNDI-VL-2098 is characterized by moderate to high plasma protein binding and can be used for the research of visceral leishmaniasis.

For research use only. We do not sell to patients.

DNDI-VL-2098 Chemical Structure

CAS No. : 681492-17-1

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CYP1 CYP2 CYP3 CYP4 CYP11 CYP17 Aromatase/CYP19A1 CYP26 CYP51 CYP1A2 CYP2D6 CYP2C9 CYP2C19 CYP3A CYP3A4 CYP17A1

Biological Activity
Purity & Documentation
References
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Description

IC₅₀ & Target

Leishmania

CYP2C19

0.47 μM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
J774.A1	IC₅₀	0.03 μM Compound: 9	Antileishmanial activity against amastigote stage of Leishmania donovani infected in mouse J-774A.1 cells assessed as parasite growth inhibition after 72 hrs by luciferase reporter gene assay Antileishmanial activity against amastigote stage of Leishmania donovani infected in mouse J-774A.1 cells assessed as parasite growth inhibition after 72 hrs by luciferase reporter gene assay	[PMID: 26901446]
MRC5	IC₅₀	>64 μM Compound: 9	Cytotoxicity against human MRC5 cells assessed as cell viability incubated for 72 hrs by fluorimetric assay Cytotoxicity against human MRC5 cells assessed as cell viability incubated for 72 hrs by fluorimetric assay	[PMID: 26901446]
MRC5	IC₅₀	2.6 μM Compound: 9	Antitrypanosomal activity against Trypanosoma cruzi infected in human MRC5 cells assessed as parasite growth inhibition incubated for 7 days by chlorophenol red alpha-D-galactopyranoside-based assay Antitrypanosomal activity against Trypanosoma cruzi infected in human MRC5 cells assessed as parasite growth inhibition incubated for 7 days by chlorophenol red alpha-D-galactopyranoside-based assay	[PMID: 26901446]

In Vitro

DNDI-VL-2098 (0.3-30 μg/mL; 4 h) exhibits moderate to high plasma protein binding rates (94-98%) with free fractions of 3-6% in mouse, rat, dog and human samples^[1].
DNDI-VL-2098 exhibits potent activity in the macrophage amastigote model, with an IC₅₀ of 0.025 μM against antimony-resistant Leishmania donovani strain DD8 and an IC₅₀ of 0.7-2.6 μM against African clinical isolates^[1].

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

Cell Viability AssayWestern Blot AnalysisCell Proliferation AssayApoptosis AnalysisCell Cytotoxicity AssayCell Cycle AnalysisRT-PCRCell Autophagy AssayImmunofluorescenceCell Differentiation AssayCell Invasion AssayCell Migration Assay Real Time qPCRELISA Assay^[1]

Cell Line:	Macrophage amastigote model
Concentration:	IC₅₀ assay
Incubation Time:	24-48 h
Result:	Against the antimony-resistant Leishmania donovani DD8 strain with an IC₅₀ of 0.025 μM, and against African clinical strains with IC₅₀ values of 0.7-2.6 μM.

Parmacokinetics

Species	Dose	Route	C₀	AUC_last	CL_blood	V_ss	T_1/2	T_max	C_max	Bioavailability
Golden hamster^[1]	1 mg/kg	i.v.	1.14 μg/mL	0.63 μg·h/mL	25.98 mL/min/kg	2.00 L/kg	1.19 h	/	/	/
Golden hamster^[1]	6.25 mg/kg	p.o.	/	4.49 μg·h/mL	/	/	/	0.25 h	1.17 μg/mL	115 %
Golden hamster^[1]	12.5 mg/kg	p.o.	/	17.13 μg·h/mL	/	/	/	0.50 h	2.36 μg/mL	/
Golden hamster^[1]	25 mg/kg	p.o.	/	29.80 μg·h/mL	/	/	/	4.00 h	3.13 μg/mL	/
Golden hamster^[1]	50 mg/kg	p.o.	/	53.00 μg·h/mL	/	/	/	4.00 h	4.93 μg/mL	/
Mice^[1]	1 mg/kg	i.v.	0.74 μg/mL	1.65 μg·h/mL	9.37 mL/min/kg	1.98 L/kg	2.94 h	/	/	/
Mice^[1]	6.25 mg/kg	p.o.	/	13.10 μg·h/mL	/	/	/	2.00 h	1.08 μg/mL	127 %
Mice^[1]	12.5 mg/kg	p.o.	/	29.76 μg·h/mL	/	/	/	4.00 h	2.43 μg/mL	/
Mice^[1]	25 mg/kg	p.o.	/	77.23 μg·h/mL	/	/	/	4.00 h	5.39 μg/mL	/
Mice^[1]	50 mg/kg	p.o.	/	145.08 μg·h/mL	/	/	/	6.00 h	8.39 μg/mL	/
Rat^[1]	1 mg/kg	i.v.	0.56 μg/mL	1.84 μg·h/mL	8.18 mL/min/kg	2.24 L/kg	3.44 h	/	/	/
Rat^[1]	5 mg/kg	p.o.	/	10.96 μg·h/mL	/	/	/	1.81 h	0.86 μg/mL	119 %
Rat^[1]	5 mg/kg	p.o.	/	6.64 μg·h/mL	/	/	/	4.50 h	0.57 μg/mL	72 %
Rat^[1]	50 mg/kg	p.o.	/	76.22 μg·h/mL	/	/	/	5.00 h	7.13 μg/mL	/
Rat^[1]	100 mg/kg	p.o.	/	187.14 μg·h/mL	/	/	/	6.50 h	9.99 μg/mL	/
Rat^[1]	200 mg/kg	p.o.	/	351.77 μg·h/mL	/	/	/	7.50 h	12.75 μg/mL	/

In Vivo

DNDI-VL-2098 (50 mg/kg; p.o.; once daily; for 5 consecutive days) achieves a parasite inhibition rate of over 99% in an acute mouse model of visceral leishmaniasis^[1].
DNDI-VL-2098 (25 mg/kg) achieves a parasite inhibition rate of over 85% in a hamster model of chronic visceral leishmaniasis, with higher efficacy than its racemate and (S)-enantiomer^[1].

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

Animal Model:	Swiss Albino mice with Visceral Leishmaniasis^[1]
Dosage:	50 mg/kg
Administration:	once daily; 5 days; p.o.
Result:	Achieved greater than 99% parasite inhibition.

Molecular Weight

359.26

Formula

C₁₄H₁₂F₃N₃O₅

CAS No.

681492-17-1

SMILES

FC(F)(F)OC(C=C1)=CC=C1OC[C@@]2(OC3=NC([N+]([O-])=O)=CN3C2)C

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Mukkavilli R, et al. In vitro metabolism, disposition, preclinical pharmacokinetics and prediction of human pharmacokinetics of DNDI-VL-2098, a potential oral treatment for Visceral Leishmaniasis. Eur J Pharm Sci. 2014;65:147-155. [Content Brief]

DNDI-VL-2098 Related Classifications

Infection

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Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

DNDI-VL-2098681492-17-1ParasiteCytochrome P450CYPsliver microsomesCYP1A2CYP2C9Caco-2 cell monolayersLeishmania donovani DD8 strainCYP2C19visceral leishmaniasisCYP3A4hepatocytesCYP2D6Inhibitorinhibitorinhibit

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