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* Service & Products of Interested: [Isotope Labeled Inhibitors] MLN 8054-[d4] (1346600-37-0)
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Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic

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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.

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Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

MLN 8054-[d4]

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General Information
Catalog: BLP-004774
CAS: 1346600-37-0
Molecular Formula: C25H11D4ClF2N4O2
Molecular Weight: 480.89

Chemical Structure

Description	MLN 8054-[d4] is the labelled analogue of MLN8054, which is an aurora kinase inhibitor with potential antineoplastic activity.
Synonyms	MLN 8054 D4; 4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic Acid-d4; MLN-8054-d4
IUPAC Name	4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2,3,5,6-tetradeuteriobenzoic acid
Related CAS	869363-13-3 (unlabelled)
Canonical SMILES	C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O
InChI	InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)/i4D,5D,7D,8D
InChI Key	HHFBDROWDBDFBR-YBNXMSKUSA-N
Purity	>98%