| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H21ClN2O6 |
| Molecular Weight | 444.865 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)N(CC(O)=O)CC1=CC=CC(OCC2=C(C)OC(=N2)C3=CC=C(Cl)C=C3)=C1
InChI
InChIKey=UJIBXDMNCMEJAY-UHFFFAOYSA-N
InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
| Molecular Formula | C22H21ClN2O6 |
| Molecular Weight | 444.865 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Originator
Approval Year
PubMed
Patents
Sample Use Guides
Mice were dosed by oral gavage (5 ml/kg body weight) once a day
in the morning.
Route of Administration:
Oral
In transactivation assays in HEK cells using GAL4-human
PPARalphaLBD fusion plasmids, the EC50 value for transactivation
was 10 nM for BMS-687453. BMS-687453 was also a potent PPARa agonist in
transactivation assays using the full-length human receptor.
For BMS-687453, the EC50 value was 47 nM.
