Chemical Component Summary

NameCerdulatinib
Synonyms4-(cyclopropylamino)-2-[[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide
Identifiers4-(cyclopropylamino)-2-[[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide
FormulaC20 H27 N7 O3 S
Molecular Weight445.538
TypeNON-POLYMER
Isomeric SMILESCCS(=O)(=O)N1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)NC4CC4)C(=O)N
InChIInChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)
InChIKeyBGLPECHZZQDNCD-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count61
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB15499 
NameCerdulatinib
Groups investigational
DescriptionCerdulatinib is under investigation in clinical trial NCT04021082 (CELTIC-1: A Phase 2B Study of Cerdulatinib in Patients With Relapsed/refractory Peripheral T-cell Lymphoma (PTCL)).
Synonyms
  • 4-(cyclopropylamino)-2-((4-(4-(ethanesulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide
  • Cerdulatinib
  • 5-pyrimidinecarboxamide, 4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)-1-piperazinyl)phenyl)amino)-
CategoriesSulfur Compounds
CAS number1198300-79-6

Related Resource References

Resource NameReference
Pharos CHEMBL4116008
PubChem 44595079
ChEMBL CHEMBL4116008