baricitinibImported
A 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.
Defined bychebi
Exact Synonyms
{1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile
Related Synonyms
1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile
2-(3-(4-(3H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile
baricitinibum
baricitinib
INCB 028050
INCB-028050
INCB028050
LY 3009104
LY-3009104
LY3009104
Olumiant
class Information
charge
0
formula
C16H17N7O2S
has_dbxref
- CAS:1187594-09-7
- Chemspider:26373084
- DrugBank:DB11817
- HMDB:HMDB0248873
- KEGG:D10308
- LINCS:LSM-6709
- PDBeChem:3JW
- PMCID:PMC8606629
- PMID:26853940
- PMID:27910962
- PMID:30036348
- PMID:30871014
- PMID:30907116
- PMID:32856090
- PMID:33451175
- PMID:33456084
- PMID:33502499
- PMID:33870531
- PMID:33961266
- PMID:34110416
- PMID:34195587
- PMID:34237007
- PMID:34247230
- PMID:34250455
- PMID:34321249
- PMID:34358107
- PMID:34379541
- PMID:34393789
- PMID:34424311
- PMID:34468689
- PMID:34501467
- PMID:34553429
- PMID:34647989
- PMID:34747511
- PMID:34785883
- Wikipedia:Baricitinib
has_obo_namespace
chebi_ontology
has_RxCUI
2047232
inchikey
XUZMWHLSFXCVMG-UHFFFAOYSA-N
inchi
InChI=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)
in_subset
mass
371.420
monoisotopicmass
371.11644
smiles
CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1
class Relations
Subclass of
- nitrilechebi
- pyrazoleschebi
- sulfonamidechebi
- pyrrolopyrimidinechebi
- azetidineschebi
- has rolerosomeantiviral agentchebi
- has rolerosomeimmunosuppressive agentchebi
- has rolerosomeantirheumatic drugchebi
- has rolerosomeanti-inflammatory agentchebi
- has rolerosomeEC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitorchebi