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Chemical structure of PAP-1

GC36849

PAP-1

Also known as 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

PAP-1 (5-(4-Phenoxybutoxy)psoralen) is a potent, selective, and orally active Kv1·3 blocker (EC50=2 nM)

ChemicalCAS870653-45-5MW350.36FormulaC21H18O5
CAS number
870653-45-5
Molecular weight
350.36
Formula
C21H18O5
Solubility
DMSO: 50 mg/mL (142·71 mM); Water: < 0·1 mg/mL (insoluble)
InChIKey
KINMYBBFQRSVLL-UHFFFAOYSA-N
Catalogue number
GC36849
Brand
GLPBIO
Computed properties PubChem CID 11302540 · XLogP 4.7 · TPSA 57.9 Ų · H-bond donors 0
XLogP
4.7
TPSA
57.9 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
26

SMILES C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4

Computed descriptors from PubChem (CID 11302540), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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