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Chemical structure of Zinpyr-1

GC45182

Zinpyr-1

Also known as 2-[4,5-bis[[bis(pyridin-2-ylmethyl)azaniumyl]methyl]-2,7-dichloro-3-oxido-6-oxoxanthen-9-yl]benzoate

Zinc (Zn)-fluorophore 1(Zinpyr-1, ZP1), a fluorescent probe for zinc detection, emits bright fluorescence has been used extensively for zinc labeling (Ex/Em: 515nm/531nm) (ε =79,000/M/cm; pKa = 8·4; Φ = 0·38)

ChemicalCAS288574-78-7MW823.7FormulaC46H36Cl2N6O5
CAS number
288574-78-7
Molecular weight
823.7
Formula
C46H36Cl2N6O5
Solubility
0·5mg/mL in DMF
InChIKey
NKEYRLVORYSIBB-UHFFFAOYSA-N
Catalogue number
GC45182
Brand
GLPBIO
Computed properties PubChem CID 4250763 · XLogP 5.6 · TPSA 150 Ų · H-bond donors 2
XLogP
5.6
TPSA
150 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
59

SMILES C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Cl)[O-])C[NH+](CC5=CC=CC=N5)CC6=CC=CC=N6)C[NH+](CC7=CC=CC=N7)CC8=CC=CC=N8)Cl)C(=O)[O-]

Computed descriptors from PubChem (CID 4250763), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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