Products 857402-23-4
CAS 857402-23-4 is the registry number for Retaspimycin. Offered by: GLPBio, MedChemExpress. Available pack sizes: 10mg, 100mg, 5mg, Get quote.
Retaspimycin is an ansamycin that is tanespimycin in which the benzoquinone moiety has been reduced to the corresponding hydroquinone. A semi-synthetic analogue of geldanamycin, it is used (generally as the hydrochloride salt) in cancer treatment. It has a role as an antineoplastic agent and a Hsp90 inhibitor. It is an ansamycin, a carbamate ester, a member of hydroquinones, an organic heterobicyclic compound, a secondary amino compound and a semisynthetic derivative. It is functionally related to a geldanamycin. It is a conjugate base of a retaspimycin(1+).
Source: ChEBI
| Molecular formula | C31H45N3O8 |
|---|---|
| Molecular weight | 587.7 g/mol |
| IUPAC name | [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate |
| InChIKey | OAKGNIRUXAZDQF-TXHRRWQRSA-N |
| SMILES | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)/C)OC)OC(=O)N)\C)C)O)OC |
Computed by PubChem (NCBI)