ex229 (compound 991) - ≥98% , CAS No.1219739-36-2

CAS: 1219739-36-2 Cat. No.: E414098 Formule: C₂₄H₁₈ClN₃O₃ Poids moléculaire: 431.87

QUALITÉ & PURETÉ ≥98%

Synonyms

Benzoic acid,5-​[[6-​chloro-​5-​(1-​methyl-​1H-​indol-​5-​yl)​-​1H-​benzimidazol-​2-​yl]​oxy]​-​2-​methyl-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

ex229 (compound 991) EX229 (compound 991) is a potent AMPK activator that is 5-10-fold more potent than A769662 in activating AMPK.

Targets

AMPK

In vitro

EX229 activates AMPK in incubated rat epitrochlearis skeletal muscle and incubation of rat skeletal muscle with ex229 increases glucose uptake. The stimulation of skeletal muscle glucose uptake by ex229 is PI3K/PKB-independent, while AMPK-dependent. ex229 increases fatty acid oxidation and glucose uptake in L6 myotubes.

Spécifications

Synonymes

Benzoic acid,5-​[[6-​chloro-​5-​(1-​methyl-​1H-​indol-​5-​yl)​-​1H-​benzimidazol-​2-​yl]​oxy]​-​2-​methyl-

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

EX229 (compound 991) is a potent AMPK activator that is 5-10-fold more potent than A769662 in activating AMPK.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504770568

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770568

Sourires canoniques

CC1=C(C=C(C=C1)OC2=NC3=C(N2)C=C(C(=C3)C4=CC5=C(C=C4)N(C=C5)C)Cl)C(=O)O

IUPAC Name

5-[[6-chloro-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid

InChIKey

FHWSAZXFPUMKFL-UHFFFAOYSA-N

INCHI

1S/C24H18ClN3O3/c1-13-3-5-16(10-17(13)23(29)30)31-24-26-20-11-18(19(25)12-21(20)27-24)14-4-6-22-15(9-14)7-8-28(22)2/h3-12H,1-2H3,(H,26,27)(H,29,30)

Isomères SMILES

CC1=C(C=C(C=C1)OC2=NC3=C(N2)C=C(C(=C3)C4=CC5=C(C=C4)N(C=C5)C)Cl)C(=O)O

Poids moléculaire

431.87

Reaxy-Rn

20136104

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20136104&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: N-alkylindoles Benzimidazoles Benzoic acids Indoles Phenoxy compounds Benzoyl derivatives Phenol ethers Toluenes Aryl chlorides N-methylpyrroles Imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - N-alkylindole - Indole - Indole or derivatives - Benzoic acid - Benzimidazole - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Toluene - Aryl chloride - Aryl halide - N-methylpyrrole - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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)

PRKAG1 Tchem AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 (619 Activities)

Discover Target: PRKAG1

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

PRKAA2 Tchem AMPK alpha2/beta1/gamma1 (210 Activities)

Discover Target: PRKAA2

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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 12 mg/mL (27.78 mM); Water: Insoluble; Ethanol: Insoluble
• Poids moléculaire: 431.900 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 431.104 Da
• Monoisotopic Mass: 431.104 Da
• Topological Polar Surface Area: 80.100 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 666.000
• 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