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Chemical structure of DJ001

GC39295

DJ001

Also known as (Z)-3-(3-nitroanilino)-1-phenylprop-2-en-1-one

DJ001 is a highly specific, selective and non-competitive protein tyrosine phosphatase-σ (PTPσ) inhibitor with an IC50 of 1·43 μM

ChemicalCAS2161305-12-8MW268.27FormulaC15H12N2O3
CAS number
2161305-12-8
Molecular weight
268.27
Formula
C15H12N2O3
Solubility
DMSO: 250 mg/mL (931·90 mM)
InChIKey
OVTJWWUGQKIRCL-KTKRTIGZSA-N
Catalogue number
GC39295
Brand
GLPBIO
Computed properties PubChem CID 44161060 · XLogP 3.8 · TPSA 74.9 Ų · H-bond donors 1
XLogP
3.8
TPSA
74.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

SMILES C1=CC=C(C=C1)C(=O)/C=C\NC2=CC(=CC=C2)[N+](=O)[O-]

Computed descriptors from PubChem (CID 44161060), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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