IRAK4-IN-2 - 10mM in DMSO , CAS No.1801343-74-7

CAS: 1801343-74-7 Cat. No.: I422200 Peso molecular: 417.42

GRADE & PURITY 10mM in DMSO

Synonyms

6'-Amino-N-[2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl][2,3'-bipyridine]-6-carboxamide | C21H19N7O3 | CA-4948 | HY-109585 | AKOS037648966 | BDBM50547966 | 6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

IRAK4-IN-2 IRAK4-IN-2 is a reversible kinase inhibitor that modulates IRAK4 function in both the toll-like receptor (TLR) and interleukin 1 receptor (IL-1R) signaling cascades.

Targets

IRAK4

Specifications

Sinónimos

6'-Amino-N-[2-(4-morpholinyl)oxazolo[4, 5-b]pyridin-6-yl][2, 3'-bipyridine]-6-carboxamide | C21H19N7O3 | CA-4948 | HY-109585 | AKOS037648966 | BDBM50547966 | 6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1, 3]oxazolo[4, 5-b]pyridin-6-yl)pyridine-2-carboxamide

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

IRAK4-IN-2 is a reversible kinase inhibitor that modulates IRAK4 function in both the toll-like receptor (TLR) and interleukin 1 receptor (IL-1R) signaling cascades.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1C2=NC3=C(O2)C=C(C=N3)NC(=O)C4=CC=CC(=N4)C5=CN=C(C=C5)N
• IUPAC Name: 6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
• InChIKey: RWIMETUXCNDSLE-UHFFFAOYSA-N
• INCHI: 1S/C21H19N7O3/c22-18-5-4-13(11-23-18)15-2-1-3-16(26-15)20(29)25-14-10-17-19(24-12-14)27-21(31-17)28-6-8-30-9-7-28/h1-5,10-12H,6-9H2,(H2,22,23)(H,25,29)
• Isómeros SMILES: C1COCCN1C2=NC3=C(O2)C=C(C=N3)NC(=O)C4=CC=CC(=N4)C5=CN=C(C=C5)N
• Peso molecular: 417.42
• Reaxy-Rn: 28429731
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28429731&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Pyridinecarboxamides Oxazolopyridines Dialkylarylamines 2-heteroaryl carboxamides Aminopyridines and derivatives Morpholines Imidolactams Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bipyridine - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - 1,3-oxazolopyridine - 2-heteroaryl carboxamide - Dialkylarylamine - Aminopyridine - Imidolactam - Oxazinane - Morpholine - Heteroaromatic compound - Oxazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

Objetivos asociados (humanos)

IRAK4 Tchem Interleukin-1 receptor-associated kinase 4 (5917 Activities)

Discover Target: IRAK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): >294°C
• Peso molecular: 417.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 417.155 Da
• Monoisotopic Mass: 417.155 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 620.000
• 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