Name: IPI-493
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HIT ID:HIT218698816
Cas No:64202-81-9
Common Name:IPI-493
alias:NSC 255109, IPI 493, 17-Aminogeldanamycin, 17-Aminodemethoxygeldanamycin, 17-amino17demethoxy
alias:NSC 255109, IPI 493, 17-Aminogeldanamycin, 17-Aminodemethoxygeldanamycin, 17-amino17demethoxy
IUPAC:(4E,6Z,8S,9S,10Z,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
IUPAC:(4E,6Z,8S,9S,10Z,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
InChIKey:XYFFWTYOFPSZRM-DCGALKCNSA-N

Molecular Formula:C28H39N3O8
Molecular Weight:545.633
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CO[C@H]1C[C@H](C)CC2=C(N)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C/[C@H](C)[C@H]1O)C2=O
SMILES:CO[C@H]1C[C@H](C)CC2=C(N)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C/[C@H](C)[C@H]1O)C2=O

IPI-493 (17-amino17demethoxy) is a novel HSP90 inhibitor with antitumor activity.

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