BMS-687453 - 10mM in DMSO , CAS No.1000998-59-3

CAS: 1000998-59-3 Cat. No.: B420250 Fórmula: C22H21ClN2O6 Peso molecular: 444.86
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
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
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemanha (EU)
USA*
Price
Qty
1ml
B420250-1ml
—
2 Em stock

153,50€

223,79€
Gravar 70,29 € (31.41%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

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
Especificações e pureza
10mM in DMSO
Mecanismos bioquímicos e 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.
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Tipo de ação
AGONIST
Propriedades do produto
ALogP3.702
hba_count6
Ligação rotativa9
Nomes e identificadores
Pubchem Sid528763477
Sorrisos canónicosCC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)C(=O)OC
IUPAC Name2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid
InChIKeyUJIBXDMNCMEJAY-UHFFFAOYSA-N
INCHI1S/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)
SMILES isoméricas 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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseAzoles
SubclassOxazoles
Intermediate Tree Nodes Not available
Direct ParentPhenyl-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 FrameworkAromatic 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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
PPARA Tclin Peroxisome proliferator-activated receptor alpha (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1I2 Tchem Pregnane X receptor (6667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRB Tclin Retinoid X receptor (114 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhesus monkey (3147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHO (4503 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Syrian golden hamster (1610 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hamster (598 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ppara Peroxisome proliferator activated receptor alpha (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
DMSO (mg/mL) Solubilidade máxima89
DMSO (mM) Solubilidade máxima200.062941150025
Água (mg/mL) Solubilidade máxima<1
Peso molecular444.900 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass444.109 Da
Monoisotopic Mass444.109 Da
Topological Polar Surface Area102.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity601.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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