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· · COA & SDS Disponible para cada producto · 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.
Descripción general 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 Sinónimos
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
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
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.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Propiedades del producto ALogP 3.702 hba_count 6 Enlace rotable 9
Nombres e identificadores Pubchem Sid 504768501 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504768501 Sonrisas canónicas 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) Isómeros SMILES CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OC Peso molecular 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 Clase 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 Descripción 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solubility (25°C) In vitro DMSO: 89 mg/mL (200.06 mM); Ethanol: 89 mg/mL (200.06 mM); Water: Insoluble; DMSO (mg/ml) Solubilidad máxima 89 DMSO (mM) Solubilidad máxima 200.062941150025 Agua (mg/ml) Solubilidad máxima ＜1 Peso molecular 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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