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Application Area
Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Pretomanid-[d4]

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General Information
Catalog: BLP-000764
CAS: 1346617-34-2
Molecular Formula: C14H8D4F3N3O5
Molecular Weight: 363.28
Chemical Structure
Pretomanid-[d4]
Description Pretomanid-[d4] is the labelled analogue of PA-824. PA-824, a bioreductive drug. PA-824 has potent in vitro activity against Mycobacterium tuberculosis. PA-824 was tested in vitro against a broad panel of multidrug-resistant clinical isolates and was found to be highly active against all isolates.
Synonyms (S)-PA 824 D4; Pretomanid-d4; (6S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine-d4; (S)-6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-imidazo[2,1-b][1,3]oxazine-d4; PA 824-d4
IUPAC Name (6S)-5,5-dideuterio-6-[dideuterio-[4-(trifluoromethoxy)phenyl]methoxy]-2-nitro-6,7-dihydroimidazo[2,1-b][1,3]oxazine
Related CAS 187235-37-6 (unlabelled)
Canonical SMILES C1C(COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F
InChI InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1/i5D2,7D2
InChI Key ZLHZLMOSPGACSZ-QXCFPOKCSA-N
Melting Point 145-150 °C
Purity > 98%; > 98% atom D
Solubility Slightly soluble in DMSO, Methanol (Heated)
Appearance White Solid
Storage 2-8 °C
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