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· · COA & SDS available for every product · Same-day shipping on in-stock items BMS-687453 - ≥98% , CAS No.1000998-59-3
Synonyms
1000998-59-3 | BMS687453 | BMS-687453 | FT-0749275 | AKOS030526188 | EX-A592 | Glycine, N-[[3-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methoxy]phenyl]methyl]-N-(methoxycarbonyl)- | SCHEMBL2742714 | 7HA | Q27256930 | AS-77790 | BDBM28800 | J-690001 | BCP14
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Information
BMS-687453 (compound 2) is a potent and selective agonist ofPPARαwith EC50 of 10 nM and IC50 of 260 nM for human PPARα.
Targets
PPARα (Cell-free assay); PPARα (Cell-free assay) 10 nM(EC50); 260 nM
Specifications Synonyms
1000998-59-3 | BMS687453 | BMS-687453 | FT-0749275 | AKOS030526188 | EX-A592 | Glycine, N-[[3-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methoxy]phenyl]methyl]-N-(methoxycarbonyl)- | SCHEMBL2742714 | 7HA | Q27256930 | AS-77790 | BDBM28800 | J-690001 | BCP14
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
BMS-687453 (compound 2) is a potent and selective agonist of PPARα with EC50 of 10 nM and IC50 of 260 nM for human PPARα.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 3.702 hba_count 6 Rotatable Bond 9
Names and Identifiers Pubchem Sid 504768501 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504768501 Canonical Smiles CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OC IUPAC Name 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid 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) Isomeric SMILES CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OC Molecular Weight 444.86 Reaxy-Rn 13032527 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13032527&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Azoles Subclass Oxazoles Intermediate Tree Nodes Not available Direct Parent Phenyl-1,3-oxazoles Alternative Parents Alpha amino acids and derivatives Phenoxy compounds Phenol ethers 2,4,5-trisubstituted oxazoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Methylcarbamates Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenyl-1,3-oxazole - Alpha-amino acid or derivatives - 2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Phenol ether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Heteroaromatic compound - Methylcarbamate - Carbamic acid ester - Ether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solubility (25°C) In vitro DMSO: 89 mg/mL (200.06 mM); Ethanol: 89 mg/mL (200.06 mM); Water: Insoluble; DMSO(mg / mL) Max Solubility 89 DMSO(mM) Max Solubility 200.062941150025 Water(mg / mL) Max Solubility ＜1 Molecular Weight 444.900 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 9 Exact Mass 444.109 Da Monoisotopic Mass 444.109 Da Topological Polar Surface Area 102.000 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 601.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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