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MLN 8054-[d4]

General Information
Catalog: BLP-004774
CAS: 1346600-37-0
Molecular Formula: C25H11D4ClF2N4O2
Molecular Weight: 480.89
Chemical Structure
MLN 8054-[d4]
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%

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