structure of Glycine, N-[[3-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methoxy]phenyl]methyl]-N-(methoxycarbonyl)-

Glycine, N-[[3-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methoxy]phenyl]methyl]-N-(methoxycarbonyl)-

CAS No.: 1000998-59-3
M. Wt: 444.865
M. Fa: C22H21ClN2O6
InChI Key: UJIBXDMNCMEJAY-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1000998-59-3

CAS Number

1000998-59-3

IUPAC Name

2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid

InChI

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)

InChIKey

UJIBXDMNCMEJAY-UHFFFAOYSA-N

Canonical SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OC

UNII

39TL5L7XDX

Physical and chemical properties of 1000998-59-3

Acidity coefficient

3.93±0.10(Predicted)

Boiling Point

642.7±65.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

444.108826

Flash Point

342.5±34.3 °C

Index of Refraction

1.595

LogP

4.98

Molecular Formula

C22H21ClN2O6

Molecular Weight

444.865

PSA

102.10000

Storage condition

-20℃

Vapour Pressure

0.0±2.0 mmHg at 25°C

Applications of 1000998-59-3

BMS-687453 is primarily investigated for its potential therapeutic applications in treating dyslipidemia and related metabolic disorders. Its ability to modulate lipid profiles positions it as a candidate for managing conditions such as hyperlipidemia, where regulation of cholesterol levels is crucial. Furthermore, due to its selective action on PPARα, it may also have implications in the treatment of type 2 diabetes by improving insulin sensitivity .

Interaction Studies of 1000998-59-3

Interaction studies have demonstrated that BMS-687453 selectively activates PPARα without significantly affecting other PPAR subtypes such as PPARγ. This selectivity is critical as it minimizes potential side effects associated with broader PPAR activation. Studies have shown that BMS-687453 effectively raises HDLc levels and lowers LDLc in transgenic mouse models, indicating its potential for cardiovascular benefits .

Biological Activity of 1000998-59-3

BMS-687453 exhibits significant biological activity, particularly in lipid regulation. It has been shown to increase high-density lipoprotein cholesterol (HDLc) levels while lowering low-density lipoprotein cholesterol (LDLc) and triglycerides in animal models. These effects are attributed to its action as a PPARα agonist, which enhances fatty acid oxidation and reduces triglyceride levels . Additionally, studies have indicated that BMS-687453 may cause skeletal myofiber degeneration at high doses, suggesting potential toxicity that warrants further investigation .

Physical sample testing spectrum (NMR) of 1000998-59-3

Physical sample testing spectrum (NMR) of 1000998-59-3