IRAK inhibitor 6 - 10mM in DMSO , CAS No.1042672-97-8

CAS: 1042672-97-8 Cat. No.: I420448 Molecular Weight: 396.46

GRADE & PURITY 10mM in DMSO

Synonyms

IRAK-IN-6; IRAK IN 6; IRAKIN6 | IRAK-IN-6 | N-[2-Methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1,3-thiazole-4-carboxamide | N-[2-METHOXY-4-(4-MORPHOLINYL)PHENYL]-2-(3-PYRIDINYL)-4-THIAZOLECARBOXAMIDE | N-(2-methoxy-4-morpholinophenyl)-2-(pyridin-3-yl

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

IRAK inhibitor 6 IRAK inhibitor 6 is a selective Interleukin-1 receptor-associated kinase 4(IRAK4) inhibitor with IC50 of 0.16 μM.

Targets

IRAK4 (Cell-free assay) 0.16 μM

Specifications

Synonyms

IRAK-IN-6; IRAK IN 6; IRAKIN6 | IRAK-IN-6 | N-[2-Methoxy-4-(morpholin-4-yl)phenyl]-2-(pyridin-3-yl)-1, 3-thiazole-4-carboxamide | N-[2-METHOXY-4-(4-MORPHOLINYL)PHENYL]-2-(3-PYRIDINYL)-4-THIAZOLECARBOXAMIDE | N-(2-methoxy-4-morpholinophenyl)-2-(pyridin-3-yl

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

IRAK inhibitor 6 is a selective Interleukin-1 receptor-associated kinase 4(IRAK4) inhibitor with IC50 of 0.16 μM.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Product Properties

• ALogP: 2.106
• hba_count: 5
• HBD Count: 1
• Rotatable Bond: 5

Names and Identifiers

• Canonical Smiles: COC1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CSC(=N3)C4=CN=CC=C4
• IUPAC Name: N-(2-methoxy-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
• InChIKey: JQSRUVXPODZKAF-UHFFFAOYSA-N
• INCHI: 1S/C20H20N4O3S/c1-26-18-11-15(24-7-9-27-10-8-24)4-5-16(18)22-19(25)17-13-28-20(23-17)14-3-2-6-21-12-14/h2-6,11-13H,7-10H2,1H3,(H,22,25)
• Isomeric SMILES: COC1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=CSC(=N3)C4=CN=CC=C4
• Molecular Weight: 396.46
• Reaxy-Rn: 18830670
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18830670&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Phenylmorpholines Aminophenyl ethers Methoxyanilines 2-heteroaryl carboxamides Thiazolecarboxamides Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Phenylmorpholine - Methoxyaniline - Aminophenyl ether - Phenol ether - 2-heteroaryl carboxamide - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Anisole - Phenoxy compound - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Morpholine - Oxazinane - Pyridine - Azole - Heteroaromatic compound - Thiazole - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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)

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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 7
• DMSO(mM) Max Solubility: 17.656257882258
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 396.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 396.126 Da
• Monoisotopic Mass: 396.126 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 520.000
• 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