IRAK inhibitor 1 - ≥98% , CAS No.1042224-63-4

CAS: 1042224-63-4 Cat. No.: I412329 Molecular Weight: 293.4

GRADE & PURITY ≥98%

Synonyms

DTXSID60659159 | NCGC00379036-01 | 6-imidazo[1,2-a]pyridin-3-yl-N-piperidin-4-ylpyridin-2-amine | MS-24200 | HY-13275 | F84607 | IRAK inhibitor 1 | irak inhibitor | 6-(H-imidazo[1,2-a]pyridin-3-yl)-N-(piperidin-4-yl)pyridin-2-amine | 6-Imidazo[1,2-a]pyrid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

IRAK inhibitor 1 is a potent inhibitor of IRAK-4 with IC50 of 216 nM. IRAK inhibitor 1 is poorly active against JNK-1 and JNK-2 with IC50 of 3.801 μM and >10 μM, respectively.

Specifications

Synonyms

DTXSID60659159 | NCGC00379036-01 | 6-imidazo[1, 2-a]pyridin-3-yl-N-piperidin-4-ylpyridin-2-amine | MS-24200 | HY-13275 | F84607 | IRAK inhibitor 1 | irak inhibitor | 6-(H-imidazo[1, 2-a]pyridin-3-yl)-N-(piperidin-4-yl)pyridin-2-amine | 6-Imidazo[1, 2-a]pyrid

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

IRAK inhibitor 1 is a potent inhibitor of IRAK-4 with IC50 of 216 nM. IRAK inhibitor 1 is poorly active against JNK-1 and JNK-2 with IC50 of 3.801 μM and >10 μM, respectively.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CNCCC1NC2=CC=CC(=N2)C3=CN=C4N3C=CC=C4
• IUPAC Name: 6-imidazo[1,2-a]pyridin-3-yl-N-piperidin-4-ylpyridin-2-amine
• InChIKey: HUYUPQNBDBTPQQ-UHFFFAOYSA-N
• INCHI: 1S/C17H19N5/c1-2-11-22-15(12-19-17(22)6-1)14-4-3-5-16(21-14)20-13-7-9-18-10-8-13/h1-6,11-13,18H,7-10H2,(H,20,21)
• Isomeric SMILES: C1CNCCC1NC2=CC=CC(=N2)C3=CN=C4N3C=CC=C4
• Molecular Weight: 293.4
• Reaxy-Rn: 18830741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18830741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Secondary alkylarylamines Aminopyridines and derivatives Piperidines N-substituted imidazoles Imidolactams Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,2-a]pyridine - Imidazopyridine - Aminopyridine - Secondary aliphatic/aromatic amine - N-substituted imidazole - Piperidine - Pyridine - Imidolactam - Imidazole - Heteroaromatic compound - Azole - Secondary aliphatic amine - Secondary amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Associated Targets(Human)

MAPK9 Tchem c-Jun N-terminal kinase 2 (4655 Activities)

Discover Target: MAPK9

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

MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

Discover Target: MAPK8

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

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

HepG2 (196354 Activities)

Explore this target

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 293.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 293.164 Da
• Monoisotopic Mass: 293.164 Da
• Topological Polar Surface Area: 54.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 357.000
• 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