GSK621 - ≥97% , CAS No.1346607-05-3

CAS: 1346607-05-3 Cat. No.: G413867 Formula: C₂₆H₂₀ClN₃O₅ Peso molecolare: 489.91

GRADE & PURITY ≥97%

Synonyms

6-​chloro-​5-​(2'-​hydroxy-​3'-​methoxy[1,​1'-​biphenyl]​-​4-​yl)​-​3-​(3-​methoxyphenyl)​-1H-​Pyrrolo[3,​2-​d]​pyrimidine-​2,​4(3H,​5H)​-​dione | 6-Chloro-5-(2′-hydroxy-3′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrolo[3,2-d]pyr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

6-​chloro-​5-​(2'-​hydroxy-​3'-​methoxy[1,​1'-​biphenyl]​-​4-​yl)​-​3-​(3-​methoxyphenyl)​-1H-​Pyrrolo[3,​2-​d]​pyrimidine-​2,​4(3H,​5H)​-​dione | 6-Chloro-5-(2′-hydroxy-3′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrolo[3,2-d]pyr

Specifiche e purezza

≥97%

Meccanismi biochimici e fisiologici

GSK621 is a specific and potent AMPK activator.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488201672
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201672
• Sorrisi canonici: COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(N3C4=CC=C(C=C4)C5=C(C(=CC=C5)OC)O)Cl)NC2=O
• IUPAC Name: 6-chloro-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-(3-methoxyphenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
• InChIKey: KURYSXLJGKKDHT-UHFFFAOYSA-N
• INCHI: 1S/C26H20ClN3O5/c1-34-18-6-3-5-17(13-18)30-25(32)23-20(28-26(30)33)14-22(27)29(23)16-11-9-15(10-12-16)19-7-4-8-21(35-2)24(19)31/h3-14,31H,1-2H3,(H,28,33)
• Isomeri SMILES: COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(N3C4=CC=C(C=C4)C5=C(C(=CC=C5)OC)O)Cl)NC2=O
• Peso molecolare: 489.91
• Reaxy-Rn: 22062809
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22062809&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Methoxyphenols Alpha amino acids and derivatives Pyrrolopyrimidines Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids N-acyl amines Hydropyrimidines Vinylogous amides Heteroaromatic compounds Dicarboximides Trialkylamines Organic carbonic acids and derivatives Lactams Vinyl chlorides Enamines Chloroalkenes Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylpyrrole - Methoxyphenol - Alpha-amino acid or derivatives - Pyrrolopyrimidine - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Pyrimidone - Phenol - Alkyl aryl ether - Benzenoid - Pyrimidine - N-acyl-amine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Dicarboximide - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Lactam - Amino acid or derivatives - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Ether - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 97 mg/mL (197.99 mM); Water: Insoluble; Ethanol: Insoluble
• Peso molecolare: 489.900 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 489.109 Da
• Monoisotopic Mass: 489.109 Da
• Topological Polar Surface Area: 93.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 778.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1346607-05-3, the molecular formula is C26H20ClN3O5, and the molecular weight is 489.91 g/mol. InChIKey KURYSXLJGKKDHT-UHFFFAOYSA-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.