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Chemical structure of PHPS1 sodium

GC61609

PHPS1 sodium

Also known as sodium 4-[[5-(4-nitrophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzenesulfonate

PHPS1 sodium is a potent and selective Shp2 inhibitor with Kis of 0·73, 5·8, 10·7, 5·8, and 0·47 μM for Shp2, Shp2-R362K, Shp1, PTP1B, and PTP1B-Q, respectively

ChemicalCAS1177131-02-0MW487.42FormulaC21H14N5NaO6S
CAS number
1177131-02-0
Molecular weight
487.42
Formula
C21H14N5NaO6S
InChIKey
MNHVHZFYTKWRFD-UHFFFAOYSA-M
Catalogue number
GC61609
Brand
GLPBIO
Computed properties PubChem CID 154731191 · TPSA 168 Ų · H-bond donors 1 · H-bond acceptors 9
TPSA
168 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
34

SMILES C1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

Computed descriptors from PubChem (CID 154731191), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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