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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.

N-Boc-N-deshydroxyethyl Dasatinib-[d8]

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General Information
Catalog: BLP-004922
CAS: 1263379-04-9
Molecular Formula: C25H22D8ClN7O3S
Molecular Weight: 552.12
Chemical Structure
N-Boc-N-deshydroxyethyl Dasatinib-[d8]
Description N-Boc-N-deshydroxyethyl Dasatinib-[d8] is the labelled analogue of N-Boc-N-deshydroxyethyl Dasatinib, which is a derivative of Dasatinib.
Synonyms N-Boc-N-deshydroxyethyl Dasatinib D8; N-(2-Chloro-6-methylphenyl)-2-[[2-methyl-6-(1-(4-boc-piperazinyl-d8))-4-pyrimidinyl]amino]-5-thiazolecarboxamide
IUPAC Name tert-butyl 4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
Related CAS 1159977-13-5 (unlabelled)
Isomeric SMILES [2H]C1(C(N(C(C(N1C2=NC(=NC(=C2)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)C)C)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H]
Canonical SMILES CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)C(=O)OC(C)(C)C
InChI InChI=1S/C25H30ClN7O3S/c1-15-7-6-8-17(26)21(15)31-22(34)18-14-27-23(37-18)30-19-13-20(29-16(2)28-19)32-9-11-33(12-10-32)24(35)36-25(3,4)5/h6-8,13-14H,9-12H2,1-5H3,(H,31,34)(H,27,28,29,30)/i9D2,10D2,11D2,12D2
InChI Key CJIZAWDYZXXVSM-PMCMNDOISA-N
Melting Point >243°C (dec.)
Purity >98%
Solubility Soluble in DMSO, Methanol; Sparingly soluble in Ethyl Acetate
Appearance White to Off-white Solid
Storage Store at 2-8°C
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