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Chemical structure of AMP-PCP disodium

GC39477

AMP-PCP disodium

Also known as disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[[hydroxy(oxido)phosphoryl]methyl]phosphinate

AMP-PCP disodium is an ATP analogue and can bind to Hsp90 N-terminal domain with a Kd value of 3·8 μM· AMP-PCP disodium binding favors the formation of the active homodimer of Hsp90

ChemicalCAS7414-56-4MW549.17FormulaC11H16N5Na2O12P3
CAS number
7414-56-4
Molecular weight
549.17
Formula
C11H16N5Na2O12P3
Solubility
Soluble in DMSO
InChIKey
KZCUOVRMGTZINH-LYYWGVPGSA-L
Catalogue number
GC39477
Brand
GLPBIO
Computed properties PubChem CID 71308607 · TPSA 276 Ų · H-bond donors 5 · H-bond acceptors 16
TPSA
276 Ų
H-bond donors
5
H-bond acceptors
16
Rotatable bonds
8
Heavy atoms
33

SMILES C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)[O-])[O-])O)O)N.[Na+].[Na+]

Computed descriptors from PubChem (CID 71308607), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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