HFI-142 - ≥98% , CAS No.332164-34-8

CAS: 332164-34-8 Cat. No.: H646253 Peso molecular: 312.32 PubChem CID: 655457

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

HFI-142 is an insulin-regulated aminopeptidase (IRAP) inhibitor with a K i of 2.01 μM

Form:Solid

IC50& Target:Ki: 2.01 μM (Insulin-regulated aminopeptidase)

Specifications

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

HFI-142 is an insulin-regulated aminopeptidase (IRAP) inhibitor with a K i of 2.01 μM.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C=CC(=C2)O)N
• IUPAC Name: ethyl 2-amino-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
• InChIKey: JOPNHSIHFSZJMB-UHFFFAOYSA-N
• INCHI: 1S/C17H16N2O4/c1-2-22-17(21)15-14(10-4-3-7-19-9-10)12-6-5-11(20)8-13(12)23-16(15)18/h3-9,14,20H,2,18H2,1H3
• Isómeros SMILES: CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C=CC(=C2)O)N
• PubChem CID: 655457
• Peso molecular: 312.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Vinylogous esters Vinylogous amides Heteroaromatic compounds Enoate esters Ketene acetals Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Vinylogous ester - Heteroaromatic compound - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 125 mg/mL (400.23 mM; Need ultrasonic)
• Peso molecular: 312.320 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 312.111 Da
• Monoisotopic Mass: 312.111 Da
• Topological Polar Surface Area: 94.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 479.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1