BPO-27 racemate
Basic information
- CAS
1314873-02-3- Standard SMILES
Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)C(c1ccc(Br)o1)Oc1ccc(C(=O)O)cc1-3- InChIKey
GNHIGSRGYXEQEP-UHFFFAOYSA-N- Molecular formula
- C26H18BrN3O6
- Average molar mass
- 548.3 g/mol
- Monoisotopic mass
- 547.0379
Names & identifiers
- Preferred name
- BPO-27 racemate
- IUPAC
- 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
- English name
- BPO-27 (racemate)
- Molecular formula
- C26H18BrN3O6
- Molecular weight
- 548.34
Names & synonyms
BPO-27 racemateBPO-27 (racemate)1314873-02-3BPO-27 racematBPO-27CHEMBL1831075VPO-2279-(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 acid6-(5-Bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-benzo[b]pyrimido[4',5':3,4]pyrrolo[1,2-d][1,4]oxazine-2-carboxylic acidC26H18BrN3O6MFCD30532675BPO-27(racemate)
Show more names
BPO-27 racemate, 10 mM in DMSOBPO 27 RACEMATEBPO27 RACEMATEInhibitor,Cystic fibrosis transmembrane conductance regulator,inhibit,BPO27 racemate,Autophagy,BPO-27,BPO 27,BPO 27 racemate,BPO27,CFTR6H-Pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-2-carboxylic acid, 6-(5-bromo-2-furanyl)-7,8,9,10-tetrahydro-7,9-dimethyl-8,10-dioxo-11-phenyl-
BPO-27 (racemate)?T5WV2JH7PNorb1309909SCHEMBL14233234GLXC-26049PCC87302BDBM50353351EX-A10308
Database identifiers
- CAS
1314873-02-3- PubChem CID
- 53387352
- ChEMBL
CHEMBL1831075- UNII
- T5WV2JH7PN
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 914
Physicochemical properties
- Boiling point
- 732.9 · 732.9±70.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 6 mg/mL · DMSO : 6 mg/mL (10.94 mM)
- form
- Solid
- pka
- 3.76 · 3.76±0.40(Predicted)
- color
- White to off-white
- FDA UNII
- 5 WV2JH7PN · T5WV2JH7PN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesBPO-27 racemate is a potent CFTR inhibitor with an IC50 of 8 nM.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…