loading...| Preferred Name | ruxolitinib | |
| Synonyms |
ruxolitinib INCB018424 (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
|
| Definitions |
A pyrazole substituted at position 1 by a 2-cyano-1-cyclopentylethyl group and at position 3 by a pyrrolo[2,3-d]pyrimidin-4-yl group. Used as the phosphate salt for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essential thrombocythemia myelofibrosis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_66919 |
|
| alternative label |
ruxolitinib INCB018424 (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
|
| charge |
0 |
|
| database_cross_reference |
Patent:US2010190981 PMID:22399854 PMID:22227528 Drug_Central:4190 PMID:21919691 PMID:22422826 PMID:21926964 PMID:22279053 LINCS:LSM-1139 CAS:941678-49-5 PMID:22375970 PMID:22375971 PMID:22718840 PMID:22474318 Wikipedia:Ruxolitinib PMID:22034658 PMID:21602517 Reaxys:18703668 KEGG:D09959 PMID:22281165 PMID:22544377 Patent:US2008312258 PMID:22830345 |
|
| definition |
A pyrazole substituted at position 1 by a 2-cyano-1-cyclopentylethyl group and at position 3 by a pyrrolo[2,3-d]pyrimidin-4-yl group. Used as the phosphate salt for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essential thrombocythemia myelofibrosis. |
|
| formula |
C17H18N6 |
|
| has role | ||
| has_exact_synonym |
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
ruxolitinib INCB018424 |
|
| has_RxCUI |
1193326 |
|
| id |
CHEBI:66919 |
|
| in_subset | ||
| inchi |
InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 |
|
| inchikey |
HFNKQEVNSGCOJV-OAHLLOKOSA-N |
|
| label |
ruxolitinib |
|
| mass |
306.36500 |
|
| monoisotopicmass |
306.15929 |
|
| notation |
CHEBI:66919 |
|
| prefLabel |
ruxolitinib |
|
| smiles |
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_18379 |