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Chemical structure of Tanespimycin

GC11720

Tanespimycin

Also listed as 17-AAG (KOS953)

17-AAG(Geldanamycin), a natural benzoquinone ansamycin antibiotic, is the first established inhibitor of Hsp90

ChemicalCAS75747-14-7MW585.7FormulaC31H43N3O8
CAS number
75747-14-7
Molecular weight
585.7
Formula
C31H43N3O8
Solubility
≥ 24·95 mg/mL in DMSO, ≥ 9·56 mg/mL in EtOH with ultrasonic
InChIKey
AYUNIORJHRXIBJ-TXHRRWQRSA-N
Catalogue number
GC11720
Brand
GLPBIO
Computed properties PubChem CID 6505803 · XLogP 2.6 · TPSA 166 Ų · H-bond donors 4
XLogP
2.6
TPSA
166 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
42

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(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC

Computed descriptors from PubChem (CID 6505803), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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