LSP-249 - ≥98% , CAS No.1801253-04-2

CAS: 1801253-04-2 Cat. No.: L413428 Formule: C₂₄H₂₂ClN₅O Poids moléculaire: 431.92

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

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

Specifications

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528765306
• Sourires canoniques: 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)
• Poids moléculaire: 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
    • Classe Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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