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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.

VX-561

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General Information
Catalog: BLP-013928
CAS: 1413431-07-8
Molecular Formula: C24H19D9N2O3
Molecular Weight: 401.55
Chemical Structure
VX-561
Description VX-561, also known as d9-ivacaftor, is an agonist of cystic fibrosis transmembrane conductance regulator (CFTR) channel developed for the treatment of cystic fibrosis. VX-561 is in a phase II clinical trial for safety and efficacy evaluation.
Synonyms CTP-656; N-(2-(tert-butyl)-5-hydroxy-4-(2-(methyl-d3)propan-2-yl-1,1,1,3,3,3-d6)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide; d9-ivacaftor
IUPAC Name N-[2-tert-butyl-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
Related CAS 873054-44-5 (unlabelled)
Canonical SMILES CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C
InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)/i4D3,5D3,6D3
InChI Key PURKAOJPTOLRMP-ASMGOKTBSA-N
Melting Point >288°C (dec.)
Solubility Soluble in DMSO (Slightly), Methanol (Slightly, Heated)
Appearance White to Off-white Solid
Application potential treatment of cystic fibrosis
Storage Store at -20°C
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