GW7845 - Moligand™ , Agonist of Peroxisome proliferator-activated receptor-γ, CAS No.196809-22-0, Agonist of Peroxisome proliferator-activated receptor-γ

CAS: 196809-22-0 Cat. No.: G610774 PubChem CID: 9870584

GRADE & PURITY Moligand™

Synonyms

2-((S)-1-Carboxy-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-ethylamino)-benzoic acid methyl ester | N-(2-(METHOXYCARBONYL)PHENYL)-O-(2-(5-METHYL-2-PHENYL-4-OXAZOLYL)ETHYL)-L-TYROSINE | (2S)-2-(2-methoxycarbonylanilino)-3-[4-[2-(5-methyl-2-phe

Storage

Room temperature

Specifications

Synonymes

2-((S)-1-Carboxy-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-ethylamino)-benzoic acid methyl ester | N-(2-(METHOXYCARBONYL)PHENYL)-O-(2-(5-METHYL-2-PHENYL-4-OXAZOLYL)ETHYL)-L-TYROSINE | (2S)-2-(2-methoxycarbonylanilino)-3-[4-[2-(5-methyl-2-phe

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of Peroxisome proliferator-activated receptor-γ

Noms et identifiants

Sourires canoniques

COC(=O)c1ccccc1N[C@H](C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1

IUPAC Name

(2S)-2-[(2-methoxycarbonylphenyl)amino]-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid

InChIKey

KEGOAFNIGUBYHZ-SANMLTNESA-N

INCHI

1S/C29H28N2O6/c1-19-24(31-27(37-19)21-8-4-3-5-9-21)16-17-36-22-14-12-20(13-15-22)18-26(28(32)33)30-25-11-7-6-10-23(25)29(34)35-2/h3-15,26,30H,16-18H2,1-2H3,(H,32,33)/t26-/m0/s1

Isomères SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)C[C@@H](C(=O)O)NC4=CC=CC=C4C(=O)OC

PubChem CID

9870584

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids Phenyl-1,3-oxazoles Benzoic acid esters Amphetamines and derivatives Aminobenzoic acids and derivatives L-alpha-amino acids Benzoyl derivatives Phenylalkylamines Phenoxy compounds Phenol ethers 2,4,5-trisubstituted oxazoles Aniline and substituted anilines Secondary alkylarylamines Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Methyl esters Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Phenyl-1,3-oxazole - Alpha-amino acid - Aminobenzoic acid or derivatives - Amphetamine or derivatives - Benzoate ester - L-alpha-amino acid - Benzoic acid or derivatives - Phenoxy compound - 2,4,5-trisubstituted 1,3-oxazole - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Phenol ether - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Heteroaromatic compound - Vinylogous amide - Oxazole - Azole - Amino acid - Carboxylic acid ester - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Cibles associées (humaines)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (9 Activities)

Discover Target: PPARG

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 500.500 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 500.195 Da
• Monoisotopic Mass: 500.195 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 721.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Foire aux questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 196809-22-0. InChIKey KEGOAFNIGUBYHZ-SANMLTNESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.