IRAK4-IN-2 - ≥98% , CAS No.1801343-74-7

CAS: 1801343-74-7 Cat. No.: I414059 Fórmula: C₂₁H₁₉N₇O₃ Peso molecular: 417.42

GRADE & PURITY ≥98%

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 -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Application

6'-Amino-N-[2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl][2,3'-bipyridine]-6-carboxamide was a useful reagent in preparation of bicyclic heterocyclyl derivatives as IRAK4 inhibitors.

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

≥98%

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 -20°C,Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488202641

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202641

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

• Solubilidad: DMSO （13.89 mg/mL (33.28 mM))； Methanol (Slightly)；Water（insoluble)
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1801343-74-7, the molecular formula is C21H19N7O3, and the molecular weight is 417.42 g/mol. InChIKey RWIMETUXCNDSLE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.