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Alisertib sodium anhydrous- CAS 1028486-06-7

Alisertib sodium anhydrous is a salt of Alisertib — an inhibitor of Aurora A kinase with potential antineoplastic activity. Alisertib binds to and inhibits Aurora A kinase, which may result in disruption of the assembly of the mitotic spindle apparatus, disruption of chromosome segregation, and inhibition of cell proliferation.

Catalog Number: I021771

CAS Number: 1028486-06-7

Molecular Formula: C27H19ClFN4NaO4

Molecular Weight:540.91

Purity: 98.0%

Appearance:Solid powder

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Synonym

SynonymsAlisertib sodium anhydrous

Property

Molecular Formula: C27H19ClFN4NaO4
Molecular Weight540.91
SolubilitySoluble in DMSO
Purity98.0%
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Computed Descriptor

IUPAC NameBenzoic acid, 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)-2-methoxy-, sodium salt (1:1)
InChI1S/C27H20ClFN4O4.Na/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2;/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33);/q;+1/p-1
InChIKeyAIUYVPGHBMKGAC-UHFFFAOYSA-M
SMILESCOc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)[O-])F.[Na+]