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CHEBI:229234 - ritlecitinib tosylate

Default Structure
ChEBI IDCHEBI:229234
ChEBI Nameritlecitinib tosylate
Stars
DefinitionAn organosulfonate salt obtained by combining equimolar amounts of ritlecitinib and 4-toluenesulfonic acid. It is a kinase inhibitor, developed by Pfizer for the treatment of severe alopecia areata in adults and adolescents 12 years and older.
Last Modified17 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC15H19N5O.C7H8O3S
Net Charge0
Average Mass457.556
Monoisotopic Mass457.17838
SMILESC=CC(=O)N1C[C@H](Nc2ncnc3nccc23)CC[C@@H]1C.Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C15H19N5O.C7H8O3S/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15;1-6-2-4-7(5-3-6)11(8,9)10/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19);2-5H,1H3,(H,8,9,10)/t10-,11+;/m0./s1
InChIKeyYOZLVAFWYLSRRN-VZXYPILPSA-N
Roles Classification
Biological Roles:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
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).
Applications:
dermatologic drug  A drug used to treat or prevent skin disorders or for the routine care of skin.
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
ChEBI Ontology
Outgoing Relation(s)
ritlecitinib tosylate (CHEBI:229234) has part ritlecitinib(1+) (CHEBI:229235)
ritlecitinib tosylate (CHEBI:229234) has role anti-inflammatory drug (CHEBI:35472)
ritlecitinib tosylate (CHEBI:229234) has role antirheumatic drug (CHEBI:35842)
ritlecitinib tosylate (CHEBI:229234) has role dermatologic drug (CHEBI:50177)
ritlecitinib tosylate (CHEBI:229234) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
ritlecitinib tosylate (CHEBI:229234) has role immunosuppressive agent (CHEBI:35705)
ritlecitinib tosylate (CHEBI:229234) is a organosulfonate salt (CHEBI:64382)
IUPAC Name 
1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one 4-methylbenzenesulfonate (1:1)
Synonyms  Source
1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}prop-2-en-1-one 4 methylbenzene-1-sulfonic acidChEBI
4-methylbenzene-1-sulfonic acid—1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}prop-2-en-1-one (1/1)IUPAC
PF-06651600 tosylateDrugBank
ritlecitinib tosilateKEGG DRUG
Brand Name  Source
LitfuloKEGG DRUG
Manual XrefsDatabases
D11970KEGG DRUG
DBSALT003482DrugBank
Registry NumbersSources
CAS:2192215-81-7KEGG DRUG
Citations