CHEBI:66917 - ruxolitinib phosphate

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ChEBI Name ruxolitinib phosphate
ChEBI ID CHEBI:66917
Definition A phosphate salt obtained by reaction ruxolitinib with one equivalent of phosphoric acid. Used for the treatment of patients with intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera myelofibrosis and post-essential thrombocythemia myelofibrosis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C17H18N6.H3PO4
C17H21N6O4P
Net Charge 0
Average Mass 404.36020
Monoisotopic Mass 404.13619
InChI InChI=1S/C17H18N6.H3O4P/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;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1
InChIKey JFMWPOCYMYGEDM-XFULWGLBSA-N
SMILES OP(O)(O)=O.N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Roles Classification
Biological Role(s): 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).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing ruxolitinib phosphate (CHEBI:66917) has part ruxolitinib (CHEBI:66919)
ruxolitinib phosphate (CHEBI:66917) has role antineoplastic agent (CHEBI:35610)
ruxolitinib phosphate (CHEBI:66917) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
ruxolitinib phosphate (CHEBI:66917) is a phosphate salt (CHEBI:37853)
IUPAC Name
(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile phosphate
Brand Name Source
Jakafi KEGG DRUG
Manual Xrefs Databases
D09960 KEGG DRUG
US2008312259 Patent
US2010190981 Patent
View more database links
Registry Numbers Types Sources
1092939-17-7 CAS Registry Number KEGG DRUG
1092939-17-7 CAS Registry Number ChemIDplus
18762556 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22209716 PubMed citation Europe PMC
22469651 PubMed citation Europe PMC
22474318 PubMed citation Europe PMC
22544377 PubMed citation Europe PMC
Last Modified
02 August 2012