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CHEBI:95341 - baricitinib

Default Structure
ChEBI IDCHEBI:95341
ChEBI Namebaricitinib
Stars
DefinitionA pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a 1-[3-(cyanomethyl)-1-(ethanesulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl group at position 5. It is an FDA approved selective Janus Kinase 1 and 2 (JAK1 and JAK2) inhibitor used for the treatment of rheumatoid arthritis.
Last Modified3 December 2021
DownloadsMolfile
FormulaC16H17N7O2S
Net Charge0
Average Mass371.426
Monoisotopic Mass371.11644
SMILESCCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4nccc34)cn2)C1
InChIInChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
InChIKeyXUZMWHLSFXCVMG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
antiviral agent  A substance that destroys or inhibits replication of viruses.
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Applications:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
baricitinib (CHEBI:95341) has role anti-inflammatory agent (CHEBI:67079)
baricitinib (CHEBI:95341) has role antirheumatic drug (CHEBI:35842)
baricitinib (CHEBI:95341) has role antiviral agent (CHEBI:22587)
baricitinib (CHEBI:95341) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
baricitinib (CHEBI:95341) has role immunosuppressive agent (CHEBI:35705)
baricitinib (CHEBI:95341) is a azetidines (CHEBI:38777)
baricitinib (CHEBI:95341) is a nitrile (CHEBI:18379)
baricitinib (CHEBI:95341) is a pyrazoles (CHEBI:26410)
baricitinib (CHEBI:95341) is a pyrrolopyrimidine (CHEBI:38670)
baricitinib (CHEBI:95341) is a sulfonamide (CHEBI:35358)
IUPAC Name 
{1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile
INNs  Source
baricitinibWHO MedNet
baricitinibWHO MedNet
baricitinibWHO MedNet
baricitinibumWHO MedNet
Synonyms  Source
1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrileChEBI
2-(3-(4-(3H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrileChEBI
INCB 028050ChemIDplus
INCB-028050DrugBank
INCB028050ChemIDplus
LY 3009104ChemIDplus
Brand Name  Source
OlumiantChemIDplus
Manual XrefsDatabases
26373084ChemSpider
3JWPDBeChem
BaricitinibWikipedia
D10308KEGG DRUG
DB11817DrugBank
HMDB0248873HMDB
LSM-6709LINCS
Registry NumbersSources
CAS:1187594-09-7ChemIDplus
Citations