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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.

Ponatinib-[d8]

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General Information
Catalog: BLP-012529
CAS: 1562993-37-6
Molecular Formula: C29H19D8F3N6O
Molecular Weight: 540.61
Chemical Structure
Ponatinib-[d8]
Description Ponatinib-[d8] is the labelled analogue of Ponatinib, which is a novel, potent multi-target inhibitor of Abl, PDGFRα, VEGFR2, FGFR1 and Src with IC50 of 0. 37 nM, 1. 1 nM, 1. 5 nM, 2. 2 nM and 5. 4 nM, respectively.
Synonyms Ponatinib D8; 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)methyl]-3-(trifluoromethyl)phenyl]-benzamide
IUPAC Name 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Related CAS 943319-70-8 (unlabelled)
Canonical SMILES CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)/i12D2,13D2,14D2,15D2
InChI Key PHXJVRSECIGDHY-DHNBGMNGSA-N
Purity 95% by HPLC; 95% atom D
Density 1.3±0.1 g/cm3
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