ruxolitinib phosphate (CHEBI:66917)

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CHEBI:66917 - ruxolitinib phosphate

ChEBI ID	CHEBI:66917
ChEBI Name	ruxolitinib phosphate
Stars
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.
Last Modified	2 August 2012
Submitter	Steve
Downloads	Molfile

Formula	C17H18N6.H3O4P
Net Charge	0
Average Mass	404.367
Monoisotopic Mass	404.13619
SMILES	N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3nccc23)cn1.O=P(O)(O)O
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

Roles Classification

Biological Roles:

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).

antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.

Applications:

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin.

antipsoriatic A drug used to treat psoriasis.

antifibrotic agent Any agent which acts to reduce fibrosis.

antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.

ChEBI Ontology

Outgoing Relation(s)
	ruxolitinib phosphate (CHEBI:66917) has part ruxolitinib (CHEBI:66919)
	ruxolitinib phosphate (CHEBI:66917) has role antifibrotic agent (CHEBI:233423)
	ruxolitinib phosphate (CHEBI:66917) has role antimalarial (CHEBI:38068)
	ruxolitinib phosphate (CHEBI:66917) has role antineoplastic agent (CHEBI:35610)
	ruxolitinib phosphate (CHEBI:66917) has role antipsoriatic (CHEBI:50748)
	ruxolitinib phosphate (CHEBI:66917) has role dermatologic drug (CHEBI:50177)
	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

Synonyms	Source
INCB-018424 PHOSPHATE	ChEMBL
INCB018424 PHOSPHATE	ChEMBL
INCB-018424 SALT	ChEMBL
INCB018424 SALT	ChEMBL
INCB-18424 PHOSPHATE	ChEMBL
Opzelura	ChEMBL

Brand Name	Source
Jakafi	KEGG DRUG

Manual Xrefs	Databases
D09960	KEGG DRUG
US2008312259	Patent
US2010190981	Patent

Registry Numbers	Sources
Reaxys:18762556	Reaxys
CAS:1092939-17-7	ChemIDplus
CAS:1092939-17-7	KEGG DRUG

Citations