Description
Atovaquone (4-chlorophenyl-2,3,5,6-d4) is the deuterium labeled Atovaquone. Atovaquone is a potent, selective and orally active inhibitor of the parasite’s mitochondrial cytochrome bc1 complex. Atovaquone is against human and P. falciparum cytochrome bc1 activity with IC50 values of 460 nM and 2.0 nM, respectively. Atovaquone is an antimalarial agent and has the potential for the investigation of neumocystis pneumonia, toxoplasmosis, malaria, and babesia.
Product information
CAS Number: 1163294-17-4
Molecular Weight: 370.86
Formula: C22H19ClO3
Chemical Name: 3-{4-[4-chloro(2,3,5,6-²H₄)phenyl]cyclohexyl}-4-hydroxy-1,2-dihydronaphthalene-1,2-dione
Smiles: [2H]C1=C(Cl)C([2H])=C([2H])C(C2CCC(CC2)C2=C(O)C3=CC=CC=C3C(=O)C2=O)=C1[2H]
InChiKey: BSJMWHQBCZFXBR-IRYCTXJYSA-N
InChi: InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2/i9D,10D,11D,12D
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
How to use
In Vitro:
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs.
Products are for research use only. Not for human use.
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