4-(8-((4-((1S,4S)-5-Isopropyl-2,5-diazabicyclo(2.2.1)heptan-2-yl)phenyl)amino)-(1,2,4)triazolo(1,5-a)pyrazin-5-yl)furan-2-carboxamide , MAP kinase-activated protein kinase 5 inhibitor, CAS No.1195065-29-2, MAP kinase-activated protein kinase 5 inhibitor

CAS: 1195065-29-2 Cat. No.: S671184 Molecular Weight: 458.5 PubChem CID: 44462738

Synonyms

GLPG-0259 | UNII-52EG7RFE6Y | 2-Furancarboxamide, 4-(8-((4-((1S,4S)-5-(1-methylethyl)-2,5-diazabicyclo(2.2.1)hept-2-yl)phenyl)amino)(1,2,4)triazolo(1,5-a)pyrazin-5-yl)- | DB15190 | 52EG7RFE6Y | CHEMBL5095028 | 4-(8-((4-((1S,4S)-5-Isopropyl-2,5-diazabicycl

Storage

Room temperature

Specifications

Synonyms

GLPG-0259 | UNII-52EG7RFE6Y | 2-Furancarboxamide, 4-(8-((4-((1S, 4S)-5-(1-methylethyl)-2, 5-diazabicyclo(2.2.1)hept-2-yl)phenyl)amino)(1, 2, 4)triazolo(1, 5-a)pyrazin-5-yl)- | DB15190 | 52EG7RFE6Y | CHEMBL5095028 | 4-(8-((4-((1S, 4S)-5-Isopropyl-2, 5-diazabicycl

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

MAP kinase-activated protein kinase 5 inhibitor

Product Properties

• ALogP: 2.5

Names and Identifiers

• Canonical Smiles: CC(C)N1CC2CC1CN2C3=CC=C(C=C3)NC4=NC=C(N5C4=NC=N5)C6=COC(=C6)C(=O)N
• IUPAC Name: 4-[8-[4-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
• InChIKey: YBFGSJUVEOYPIS-OALUTQOASA-N
• INCHI: 1S/C24H26N8O2/c1-14(2)30-10-19-8-18(30)11-31(19)17-5-3-16(4-6-17)29-23-24-27-13-28-32(24)20(9-26-23)15-7-21(22(25)33)34-12-15/h3-7,9,12-14,18-19H,8,10-11H2,1-2H3,(H2,25,33)(H,26,29)/t18-,19-/m0/s1
• Isomeric SMILES: CC(C)N1C[C@@H]2C[C@H]1CN2C3=CC=C(C=C3)NC4=NC=C(N5C4=NC=N5)C6=COC(=C6)C(=O)N
• PubChem CID: 44462738
• Molecular Weight: 458.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Phenylpyrrolidines Triazolopyrazines 2-heteroaryl carboxamides Aniline and substituted anilines Dialkylarylamines Furoic acid and derivatives N-alkylpiperazines Aminopyrazines N-alkylpyrrolidines Imidolactams Triazoles Heteroaromatic compounds Pyrroles Amino acids and derivatives Trialkylamines Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Secondary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - 1-phenylpyrrolidine - Triazolopyrazine - 2-heteroaryl carboxamide - Dialkylarylamine - Aniline or substituted anilines - Furoic acid or derivatives - Aminopyrazine - N-alkylpiperazine - Pyrazine - Imidolactam - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Triazole - Pyrrole - Pyrrolidine - 1,2,4-triazole - Azole - Heteroaromatic compound - Furan - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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