2TA

N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide



Chemical Component Summary

NameN-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide
SynonymsFedratinib
IdentifiersN-tert-butyl-3-[[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]amino]benzenesulfonamide
FormulaC27 H36 N6 O3 S
Molecular Weight524.678
TypeNON-POLYMER
Isomeric SMILESCc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
InChIInChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChIKeyJOOXLOJCABQBSG-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count0
Bond Count76
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB12500 
NameFedratinib
Groups
  • approved
  • investigational
DescriptionFedratinib, also known as SAR302503 and TG101348, is a tyrosine kinase inhibitor used to treat intermediate-2 and high risk primary and secondary myelofibrosis.[A183176,L8090] It is an anilinopyrimidine derivative.[A183188] Fedratinib was granted FDA approval on August 16, 2019.[L8090]
Synonyms
  • Fedratinib
  • Fedratinib hydrochloride
Brand NamesInrebic
IndicationFedratinib is indicated for the treatment of adult patients with intermediate-2 or high-risk primary or secondary (post-polycythemia vera or post-essential thrombocythemia) myelofibrosis.[L8090,L47016]
Categories
  • Amides
  • Antineoplastic Agents
  • Antineoplastic and Immunomodulating Agents
  • BCRP/ABCG2 Inhibitors
  • Benzene Derivatives
ATC-Code
  • G01AE10
  • L01EJ02
CAS number936091-26-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine-protein kinase JAK2MGMACLTMTEMEGTSTSSIYQNGDISGNANSMKQIDPVLQVYLYHSLGKS...unknowninhibitor
Receptor-type tyrosine-protein kinase FLT3MPALARDGGQLPLLVVFSAMIFGTITNQDLPVIKCVLINHKNNDSSVGKS...unknowninhibitor
Tyrosine-protein kinase JAK1MQYLNIKEDCNAMAFCAKMRSSKKTEVNLEAPEPGVEVIFYLSDREPLRL...unknowninhibitor
Cytochrome P450 3A4MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...unknownsubstrate
Cytochrome P450 2C19MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDV...unknownsubstrate
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL1287853
PubChem 16722836
ChEMBL CHEMBL1287853
ChEBI CHEBI:91408