loading...| Preferred Name |
baricitinib |
| Synonyms |
baricitinibum LY-3009104 LY 3009104 INCB 028050 2-(3-(4-(3H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile baricitinib INCB028050 {1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile Olumiant 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile INCB-028050 LY3009104 |
| Definitions |
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. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_95341 |
| charge |
0 |
| database_cross_reference |
PMID:34195587 LINCS:LSM-6709 PMID:34321249 Chemspider:26373084 PMID:33961266 PMID:34553429 PMID:34424311 PMID:33502499 PMID:34393789 PMID:34647989 Wikipedia:Baricitinib PMID:33451175 PMID:34358107 PDBeChem:3JW PMID:27910962 PMID:30036348 DrugBank:DB11817 PMID:26853940 PMID:34250455 PMID:34747511 PMID:34247230 PMID:34468689 KEGG:D10308 PMID:30907116 PMID:34785883 PMID:33456084 PMID:34379541 PMID:32856090 PMID:34110416 PMID:33870531 PMID:34237007 HMDB:HMDB0248873 PMID:34501467 CAS:1187594-09-7 PMCID:PMC8606629 PMID:30871014 |
| definition |
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. |
| formula |
C16H17N7O2S |
| has role |
http://purl.obolibrary.org/obo/CHEBI_76617 http://purl.obolibrary.org/obo/CHEBI_22587 http://purl.obolibrary.org/obo/CHEBI_35705 |
| has_exact_synonym |
{1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
baricitinibum LY-3009104 LY 3009104 INCB 028050 2-(3-(4-(3H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile baricitinib INCB028050 Olumiant 1-(ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile INCB-028050 LY3009104 |
| id |
CHEBI:95341 |
| in_subset | |
| 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) |
| inchikey |
XUZMWHLSFXCVMG-UHFFFAOYSA-N |
| label |
baricitinib |
| mass |
371.420 |
| monoisotopicmass |
371.11644 |
| notation |
CHEBI:95341 |
| prefLabel |
baricitinib |
| smiles |
CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38670 http://purl.obolibrary.org/obo/CHEBI_18379 http://purl.obolibrary.org/obo/CHEBI_35358 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38670 http://purl.obolibrary.org/obo/CHEBI_18379 http://purl.obolibrary.org/obo/CHEBI_35358 |