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Chemical structure of HSP990 (NVP-HSP990)

GC11973

HSP990 (NVP-HSP990)

Also known as (7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

HSP990 (NVP-HSP990) is a potent and selective Hsp90 inhibitor, with IC50 values of 0·6, 0·8, and 8·5 nM for Hsp90α, Hsp90β, and Grp94, respectively

ChemicalCAS934343-74-5MW379.39FormulaC20H18FN5O2
CAS number
934343-74-5
Molecular weight
379.39
Formula
C20H18FN5O2
Solubility
≥ 12·3mg/mL in DMSO
InChIKey
WSMQUUGTQYPVPD-OAHLLOKOSA-N
Catalogue number
GC11973
Brand
GLPBIO
Computed properties PubChem CID 46216556 · XLogP 2.1 · TPSA 103 Ų · H-bond donors 2
XLogP
2.1
TPSA
103 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
28

SMILES CC1=C2C(=NC(=N1)N)C[C@@H](NC2=O)C3=C(C=C(C=C3)F)C4=NC(=CC=C4)OC

Computed descriptors from PubChem (CID 46216556), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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