17-Aminogeldanamycin
[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Molecular Identity
17-Aminogeldanamycin
[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
PubChem CID: 9893658
17-Aminogeldanamycin is an enamine and an enone.
2D Structure
Properties
C28H39N3O8
Molecular Formula
545.60
Molecular Weight
g/mol
545.2737
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
180
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
1130
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
17-AminogeldanamycinIPI-493SLQ1AJG3VB64202-81-9Geldanamycin, 17-amino-17-demethoxy-IPI 49317-AminodemethoxygeldanamycinNSC-2551092-Azabicyclo(16.3.1)docosa-4,6,10,18,21-pentaene-3,20,22-trione, 19-amino-9-((aminocarbonyl)oxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-, (8R,9R,12R,13S,14R,16R)-NSC255109RefChem:148636IPI493Oral Hsp90 Inhibitor IPI-493Heat Shock Protein 90 Inhibitor IPI-493(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo(16.3.1)docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
Data from PubChem (NCBI)
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Trials and conditions connected to 17-Aminogeldanamycin
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