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

CAS: 1219739-36-2 Cat. No.: E414098 분자식: C₂₄H₁₈ClN₃O₃ 분자량: 431.87

등급 & 순도 ≥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

개요

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.

사양

동의어

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

이름과 식별자

Pubchem Sid

504770568

Pubchem Sid Url

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

정식 스마일

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)

이성체 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

분자량

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
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 12 mg/mL (27.78 mM); Water: Insoluble; Ethanol: Insoluble
• 분자량: 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