GW6471 - 10mM in DMSO , Antagonist of Peroxisome proliferator-activated receptor-α, CAS No.880635-03-0, Antagonist of Peroxisome proliferator-activated receptor-α

CAS: 880635-03-0 Cat. No.: G426654 분자식: C₃₅H₃₆F₃N₃O₄ 분자량: 619.67 EC 번호: 804-305-7

GRADE & PURITY 10mM in DMSO

Synonyms

GTPL3440 | MLS006010816 | NCGC00165799-01 | SCHEMBL15153020 | N-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide | Propanamide, N-((2S)-2-(((1Z)-1-methyl-3-ox

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

GW6471 is a PPARα antagonist, shown to completely inhibit GW409544-induced activation of PPARα. GW6471 induces a PPARα conformation that interacts efficiently with co-repressors.

Specifications

동의어

GTPL3440 | MLS006010816 | NCGC00165799-01 | SCHEMBL15153020 | N-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide | Propanamide, N-((2S)-2-(((1Z)-1-methyl-3-ox

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of Peroxisome proliferator-activated receptor-α

이름과 식별자

Pubchem Sid

528764718

정식 스마일

CCC(=O)NCC(CC1=CC=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C)NC(=CC(=O)C4=CC=C(C=C4)C(F)(F)F)C

IUPAC Name

N-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide

InChIKey

TYEFSRMOUXWTDN-DYQICHDWSA-N

INCHI

1S/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1

이성체 SMILES

CCC(=O)NC[C@H](CC1=CC=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C)N/C(=C\C(=O)C4=CC=C(C=C4)C(F)(F)F)/C

WGK 독일

3

대체 CAS

436159-64-7

분자량

619.67

Reaxy-Rn

31837484

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31837484&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Trifluoromethylbenzenes Amphetamines and derivatives 2,4,5-trisubstituted oxazoles Phenoxy compounds Phenol ethers Aryl ketones Benzoyl derivatives Alkyl aryl ethers Aralkylamines Vinylogous amides Acryloyl compounds Enones Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Oxacyclic compounds Enamines Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - Amphetamine or derivatives - Trifluoromethylbenzene - Phenol ether - Aryl ketone - Benzoyl - 2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Oxacycle - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Ether - Alkyl fluoride - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Amine - Organooxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
• 설명: 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.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

PPARA Tclin Peroxisome proliferator-activated receptor alpha (0 Activities)

Discover Target: PPARA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 분자량: 619.700 g/mol
• XLogP3: 7.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 619.266 Da
• Monoisotopic Mass: 619.266 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 954.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1