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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.

AEE 788-[d5]

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General Information
Catalog: BLP-003228
CAS: 1292840-54-0
Molecular Formula: C27H27D5N6
Molecular Weight: 445.61
Chemical Structure
AEE 788-[d5]
Description Labelled AEE 788. AEE-788 is an orally bioavailable multiple-receptor tyrosine kinase inhibitor. AEE788 inhibits phosphorylation of the tyrosine kinases of epidermal growth factor receptor (EGFR), human epidermal growth factor receptor 2 (HER2), and vascular endothelial growth factor receptor 2 (VEGF2), resulting in receptor inhibition, the inhibition of cellular proliferation, and induction of tumor cell and tumor-associated endothelial cell apoptosis.
Synonyms 6-[4-[(4-(Ethyl-d5)-1-piperazinyl)methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine; [6-[4-[(4-(Ethyl-d5)piperazin-1-yl)methyl]phenyl]-7H-pyrrolo-[2,3-d]pyrimidin-4-yl]-((R)-1-phenylethyl)amine; NVP-AEE 788-d5
IUPAC Name 6-[4-[[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]methyl]phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CAS 497839-62-0 (unlabelled)
Canonical SMILES CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC(C)C5=CC=CC=C5
InChI InChI=1S/C27H32N6/c1-3-32-13-15-33(16-14-32)18-21-9-11-23(12-10-21)25-17-24-26(28-19-29-27(24)31-25)30-20(2)22-7-5-4-6-8-22/h4-12,17,19-20H,3,13-16,18H2,1-2H3,(H2,28,29,30,31)/t20-/m1/s1/i1D3,3D2
InChI Key OONFNUWBHFSNBT-MTOGIFQOSA-N
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