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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.

Nilotinib-[d3]

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General Information
Catalog: BLP-012480
CAS: 1215678-43-5
Molecular Formula: C28H19D3F3N7O
Molecular Weight: 532.53
Chemical Structure
Nilotinib-[d3]
Description Nilotinib-[d3] is the Labelled analog of Nilotinib, which may be used to treat chronic myelogenous leukemia. Nilotinib is a Bcr-Abl inhibitor with IC50 less than 30 nM.
Synonyms Nilotinib D3; 4-Methyl-N-{3-[4-(2H3)methyl-1H-imidazol-1-yl]-5-(trifluoromethyl)phenyl}-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide
IUPAC Name 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-[3-[4-(trideuteriomethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]benzamide
Related CAS 641571-10-0 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C1=CN(C=N1)C2=CC(=CC(=C2)NC(=O)C3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)C(F)(F)F
Canonical SMILES CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)/i2D3
InChI Key HHZIURLSWUIHRB-BMSJAHLVSA-N
Melting Point 227-230°C
Purity 97%; 98% atom D
Density 1.4±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance Off-white to Pale Yellow Solid
Storage Store at -20°C
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