N-{2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl}-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide - Moligand™ , Inhibitor of interleukin 1 receptor associated kinase 1;Inhibitor of interleukin 1 receptor associated kinase 4, CAS No.N608905, Inhibitor of interleukin 1 receptor associated kinase 1;Inhibitor of interleukin 1 receptor associated kinase 4

CAS: N608905 Cat. No.: N608905 PubChem CID: 58056241

GRADE & PURITY Moligand™

Synonyms

compound 1

Storage

Room temperature

Specifications

Synonyms

compound 1

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of interleukin 1 receptor associated kinase 1;Inhibitor of interleukin 1 receptor associated kinase 4

Names and Identifiers

• Canonical Smiles: NCC1CCN(CC1)c1ccc(cc1NC(=O)c1cnn2c1ncc(c2)O)Cl
• IUPAC Name: N-{2-[4-(aminomethyl)piperidin-1-yl]-5-chlorophenyl}-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
• InChIKey: BNVZRFQNZWYPQH-UHFFFAOYSA-N
• INCHI: 1S/C19H21ClN6O2/c20-13-1-2-17(25-5-3-12(8-21)4-6-25)16(7-13)24-19(28)15-10-23-26-11-14(27)9-22-18(15)26/h1-2,7,9-12,27H,3-6,8,21H2,(H,24,28)
• Isomeric SMILES: C1CN(CCC1CN)C2=C(C=C(C=C2)Cl)NC(=O)C3=C4N=CC(=CN4N=C3)O
• PubChem CID: 58056241

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: Phenylpiperidines Pyrimidinecarboxamides Pyrazolo[1,5-a]pyrimidines Aniline and substituted anilines Dialkylarylamines Pyrazole-4-carboxamides Chlorobenzenes Hydroxypyrimidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organochlorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Phenylpiperidine - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrimidinecarboxamide - Pyrazole-4-carboxamide - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Hydroxypyrimidine - Pyrimidine - Aryl chloride - Aryl halide - Piperidine - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Primary aliphatic amine - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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 (3 Activities)

Discover Target: IRAK4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

IRAK1 Tchem Interleukin-1 receptor-associated kinase 1 (1 Activities)

Discover Target: IRAK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

IRAK1 Tchem Interleukin-1 receptor-associated kinase 1 (1749 Activities)

Discover Target: IRAK1

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

Mechanisms of Action