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Chemical structure of (R)-BPO-27

GC31665

(R)-BPO-27

Also known as (9R)-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

(R)-BPO-27, the R enantiomer of BPO-27, is a potent, orally active and ATP-competitive CFTR?inhibitor with an?IC50 of 4 nM

ChemicalCAS1415390-47-4MW548.34FormulaC26H18BrN3O6
CAS number
1415390-47-4
Molecular weight
548.34
Formula
C26H18BrN3O6
Solubility
DMSO ： ≥ 14·28 mg/mL (26·04 mM)
InChIKey
GNHIGSRGYXEQEP-QHCPKHFHSA-N
Catalogue number
GC31665
Brand
GLPBIO
Computed properties PubChem CID 71108905 · 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=C3[C@@H](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 71108905), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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