CAS 912999-49-6 appears in our catalog under these names: Onalespib, 98%, AT13387, Onalespib/ 99.82% (existing batch purity), AT-13387, Onalespib 98%. Offered by: AmBeed, GLPBio, TargetMol, Biosynth, MedChemExpress. Available pack sizes: 10mg, 100mg, 1g, 5mg, 10mM (in 1ml dmso), 50mg, 500mg, 1mg.
Onalespib is a member of the class of isoindoles that is isoindole in which the amino group has been acylated by a 2,4-dihydroxy-5-isopropylbenzoyl group and in which position 5 of the isoidole moiety has been substituted by a (4-methylpiperazin-1-yl)methyl group. A second-generation Hsp90 inhibitor. It has a role as an antineoplastic agent and a Hsp90 inhibitor. It is a tertiary carboxamide, a member of benzamides, a member of isoindoles, a member of resorcinols and a N-alkylpiperazine.
Source: ChEBI
| Molecular formula | C24H31N3O3 |
|---|---|
| Molecular weight | 409.5 g/mol |
| IUPAC name | (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone |
| InChIKey | IFRGXKKQHBVPCQ-UHFFFAOYSA-N |
| SMILES | CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CC3=C(C2)C=C(C=C3)CN4CCN(CC4)C |
Computed by PubChem (NCBI)