Details
| 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 |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Originator
Sources: http://adisinsight.springer.com/drugs/800027003 | https://www.ncbi.nlm.nih.gov/pubmed/20218621
Curator's Comment: # Bristol-Myers Squibb
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Biomarkers of drug-induced skeletal muscle injury in the rat: troponin I and myoglobin. | 2009 Oct |
|
| Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453). | 2010 Apr 8 |
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.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 00:30:38 GMT 2023
by
admin
on
Sat Dec 16 00:30:38 GMT 2023
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| Record UNII |
39TL5L7XDX
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| Record Status |
Validated (UNII)
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