GSK621 - ≥97% , CAS No.1346607-05-3

CAS: 1346607-05-3 Cat. No.: G413867 Fórmula: C₂₆H₂₀ClN₃O₅ Peso molecular: 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

Sinónimos

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

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

GSK621 is a specific and potent AMPK activator.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488201672

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201672

Sorrisos canónicos

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)

SMILES isoméricas

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 molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 97 mg/mL (197.99 mM); Water: Insoluble; Ethanol: Insoluble
• Peso molecular: 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

Perguntas frequentes

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.