LSP-249 - ≥98% , CAS No.1801253-04-2

CAS: 1801253-04-2 Cat. No.: L413428 Peso molecular: 431.92

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

LSP-249 (example 35) is a plasma kallikrein inhibitor under the study for angioedema with EC50 <100 nM in cell.

Specifications

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

LSP-249 (example 35) is a plasma kallikrein inhibitor under the study for angioedema with EC50 <100 nM in cell.

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: CC1=CC(=NC(=C1CNC(=O)C2=CC(=NC=C2)CC3=CC4=CC(=CN=C4C=C3)Cl)C)N
• IUPAC Name: N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide
• InChIKey: BDLURRLRBKLEDL-UHFFFAOYSA-N
• INCHI: 1S/C24H22ClN5O/c1-14-7-23(26)30-15(2)21(14)13-29-24(31)17-5-6-27-20(11-17)9-16-3-4-22-18(8-16)10-19(25)12-28-22/h3-8,10-12H,9,13H2,1-2H3,(H2,26,30)(H,29,31)
• Peso molecular: 431.92
• Reaxy-Rn: 29428982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29428982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Pyridinecarboxamides Methylpyridines Aminopyridines and derivatives Imidolactams Benzenoids Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Methylpyridine - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

• Peso molecular: 431.900 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 431.151 Da
• Monoisotopic Mass: 431.151 Da
• Topological Polar Surface Area: 93.800 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 607.000
• 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