Flazin , CAS No.100041-05-2

CAS: 100041-05-2 Cat. No.: F648604 Fórmula: C₁₇H₁₂N₂O₄ Peso molecular: 308.29 PubChem CID: 5377686

Synonyms

1-[5-(hydroxymethyl)-2-furyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid | EX-A5451 | USBWYUYKHHILLZ-UHFFFAOYSA-N | HY-141508 | InChI=1/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22) | DTXSID2014

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Flazin is a non-enzymatic protein glycation inhibitor, also inhibits peroxynitrite (ONOO - ) , with an IC 50 value of 85.31 μM for bovine serum albumin (BSA) glycation and an EC 50 value of 71.99 μM for ONOO - . Flazin can be used for researching diabetes and neuronal disorders. Flazin also can used as a lipid droplet (LD) regulator against lipid disorders, and a xanthine oxidase (XOD) inhibitor

In Vitro

Flazin significantly decreases cellular triglyceride (TG) by 12.0-22.4% compared with modeling groups and improved the TG and free fatty acid profile. Flazin efficiently reduces both cellular neutral lipid content by 17.4-53.9% and lipid droplets size by 10.0-35.3%. Flazin exhibits xanthine oxidase inhibitory with an IC 50 of 0.51 mM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

IC50& Target:IC 50 : 85.31 μM (BSA), 0.51 mM (XOD),EC 50 : 71.99 μM (ONOO - )

Specifications

Sinónimos

1-[5-(hydroxymethyl)-2-furyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid | EX-A5451 | USBWYUYKHHILLZ-UHFFFAOYSA-N | HY-141508 | InChI=1/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22) | DTXSID2014

Mecanismos bioquímicos e fisiológicos

Flazin is a non-enzymatic protein glycation inhibitor, also inhibits peroxynitrite (ONOO - ) , with an IC 50 value of 85.31 μM for bovine serum albumin (BSA) glycation and an EC 50 value of 71.99 μM for ONOO - . Flazin can be used for researching diabetes

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.

Tipo de ação

INHIBITOR

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)O
• IUPAC Name: 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
• InChIKey: USBWYUYKHHILLZ-UHFFFAOYSA-N
• INCHI: 1S/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)
• SMILES isoméricas: C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)O
• CAS alternativo: 100041-05-2
• PubChem CID: 5377686
• Termos de entrada MeSH: flazin;flazine
• Peso molecular: 308.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Harmala alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Harmala alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Harmala alkaloids
• Alternative Parents: Beta carbolines Pyridinecarboxylic acids Indoles Benzenoids Pyrroles Furans Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Organic oxides Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Harman - Beta-carboline - Pyridoindole - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Furan - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organopnictogen compound - Aromatic alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
• External Descriptors: harmala alkaloid

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

Alvos associados (não humanos)

Human immunodeficiency virus 1 (70413 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 308.290 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 308.08 Da
• Monoisotopic Mass: 308.08 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 460.000
• 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