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1000998-59-3,MFCD18251482
Catalog No.:AA0000U3
1000998-59-3 | Bms-687453
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$97.00   $68.00
- +
5mg
≥98%
in stock  
$230.00   $161.00
- +
10mg
≥98%
in stock  
$364.00   $255.00
- +
25mg
≥98%
in stock  
$725.00   $508.00
- +
50mg
99.04%
in stock  
$1,182.00   $827.00
- +
100mg
99.04%
in stock  
$1,842.00   $1,289.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0000U3
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
Computed Properties
 
Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.109g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
444.868g/mol
Monoisotopic Mass:
444.109g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Synonyms
 
2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid 
BMS 687453 
2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}phenyl)methyl](methoxycarbonyl)amino}acetic acid 
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)- 
SCHEMBL2742714 
CHEMBL1089501 
BDBM28800 
EX-A592 
BCP14808 
MFCD18251482 
ZINC44460341 
BMS-687453 
CS-5523 
DA-48472 
HY-10678 
FT-0749275 
J-690001 
N-(3-((2-(4-Chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)-N-(methoxycarbonyl)glycine 
7HA 
N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine 
Pexidartinib 
D08UWZ 
BMS687453 
UJIBXDMNCMEJAY-UHFFFAOYSA-N 
BMS687453 
A15836 
C549240 
2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid 
BMS-687453 
1000998-59-3 
UNII-39TL5L7XDX 
BMS 687453 
39TL5L7XDX 
2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid 
Literature

Title: 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.

Journal: Bioorganic & medicinal chemistry letters 20100501

Title: 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: Journal of medicinal chemistry 20100408

Title: Biomarkers of drug-induced skeletal muscle injury in the rat: troponin I and myoglobin.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20091001

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