Products 1028486-01-2
CAS 1028486-01-2 appears in our catalog under these names: 4-((9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-yl)amino)-2-methoxybenzoic acid, 98%, 98%, MLN 8237 (Contain 10% DMSO), Alisertib/ 98.73% (existing batch purity), MLN8237 (Alisertib), MLN 8237. Offered by: Chemat, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 250mg, 1g.
Alisertib is an organic heterotricyclic compound that is 5H-pyrimido[5,4-d][2]benzazepine substituted by (4-carboxy-3-methoxyphenyl)amino, 2-fluoro-6-methoxyphenyl, and chloro groups at positions 2, 7 and 9, respectively. It is an aurora A kinase inhibitor (IC50 = ~1 nM). It has a role as an autophagy inducer, an antineoplastic agent, an apoptosis inducer and an Aurora kinase inhibitor. It is a monomethoxybenzene, a methoxybenzoic acid, an organic heterotricyclic compound, an organochlorine compound, a secondary amino compound and a member of monofluorobenzenes.
Source: ChEBI
| Molecular formula | C27H20ClFN4O4 |
|---|---|
| Molecular weight | 518.9 g/mol |
| IUPAC name | 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid |
| InChIKey | ZLHFILGSQDJULK-UHFFFAOYSA-N |
| SMILES | COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC |
Computed by PubChem (NCBI)