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Application Area
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.

Etravirine-[13C3]

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General Information
Catalog: BLP-011858
CAS: 1189671-48-4
Molecular Formula: C17[13C]3H15BrN6O
Molecular Weight: 438.25
Chemical Structure
Etravirine-[13C3]
Description Etravirine-[13C3] is the labelled analogue of Etravirine. Etravirine is a drug used for the treatment of HIV. Etravirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI). Etravirine works by reducing the amount of HIV and increasing the number of CD4 or T cells in the blood. Unlike the currently available agents in the class, resistance to other NNRTIs does not seem to confer resistance to etravirine.
Synonyms Etravirine 13C3; R 165335-13C3; TMC 125-13C3
IUPAC Name 4-[6-amino-5-bromo-2-(4-cyanoanilino)(4,5,6-13C3)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
Related CAS 269055-15-4 (unlabelled)
Isomeric SMILES CC1=CC(=CC(=C1O[13C]2=NC(=N[13C](=[13C]2Br)N)NC3=CC=C(C=C3)C#N)C)C#N
Canonical SMILES CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)N)NC3=CC=C(C=C3)C#N)C)C#N
InChI InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)/i16+1,18+1,19+1
InChI Key PYGWGZALEOIKDF-WTZVUXPESA-N
Melting Point >245°C (dec.)
Purity 95%
Density 1.6±0.1 g/cm3
Solubility Soluble in Chloroform, DMSO, DMF
Appearance Off-white to Pale Beige Solid
Application A novel labelled HIV reverse transcriptase inhibitor useful in treatment of HIV infection.
Storage Store at -20°C
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