Name: Name:Bms-687453
Brand: Angene
SKU: AG0000WV
Rating: 90 (10 reviews)

Bms-687453

CAS No.:

1000998-59-3

Catalog Number:

AG0000WV

Molecular Formula:

C22H21ClN2O6

Molecular Weight:

444.8649

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥98%

1 week

United States

$93

- +

5mg

≥98%

1 week

United States

$219

- +

10mg

≥98%

1 week

United States

$346

- +

25mg

99%

1 week

United States

$657

- +

50mg

99%

1 week

United States

$1057

- +

100mg

99%

1 week

United States

$1640

- +

Product Description

Catalog Number:

AG0000WV

Chemical Name:

Bms-687453

CAS Number:

1000998-59-3

Molecular Formula:

C22H21ClN2O6

Molecular Weight:

444.8649

MDL Number:

MFCD18251482

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)

InChI Key:

UJIBXDMNCMEJAY-UHFFFAOYSA-N

SMILES:

COC(=O)N(Cc1cccc(c1)OCc1nc(oc1C)c1ccc(cc1)Cl)CC(=O)O

UNII:

39TL5L7XDX

Properties

Complexity:

601

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

444.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

444.868g/mol

Monoisotopic Mass:

444.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
Synthesis and structure-activity relationships of 2-aryl-4-oxazolylmethoxy benzylglycines and 2-aryl-4-thiazolylmethoxy benzylglycines as novel, potent PPARalpha selective activators- PPARalpha and PPARgamma selectivity modulation.	Bioorganic & medicinal chemistry letters 20100501
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).	Journal of medicinal chemistry 20100408
Biomarkers of drug-induced skeletal muscle injury in the rat: troponin I and myoglobin.	Toxicological sciences : an official journal of the Society of Toxicology 20091001

Properties