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Chemical structure of BPO-27 racemate

GC30537

BPO-27 racemate

Also known as 9-(5-bromofuran-2-yl)-12,14-dimethyl-13,15-dioxo-17-phenyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-4-carboxylic acid

BPO-27 racemate is a potent CFTR inhibitor with an IC50 of 8 nM

ChemicalCAS1314873-02-3MW548.34FormulaC26H18BrN3O6
CAS number
1314873-02-3
Molecular weight
548.34
Formula
C26H18BrN3O6
Solubility
DMSO ： 6 mg/mL (10·94 mM)
InChIKey
GNHIGSRGYXEQEP-UHFFFAOYSA-N
Catalogue number
GC30537
Brand
GLPBIO
Computed properties PubChem CID 53387352 · XLogP 3.8 · TPSA 105 Ų · H-bond donors 1
XLogP
3.8
TPSA
105 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
36

SMILES CN1C2=C3C(OC4=C(N3C(=C2C(=O)N(C1=O)C)C5=CC=CC=C5)C=C(C=C4)C(=O)O)C6=CC=C(O6)Br

Computed descriptors from PubChem (CID 53387352), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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