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Details

Stereochemistry ACHIRAL
Molecular Formula C20H27N7O3S
Molecular Weight 445.538
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CERDULATINIB

SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC=C(NC3=NC=C(C(N)=O)C(NC4CC4)=N3)C=C2

InChI

InChIKey=BGLPECHZZQDNCD-UHFFFAOYSA-N
InChI=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)

HIDE SMILES / InChI

Molecular Formula C20H27N7O3S
Molecular Weight 445.538
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/25253883

Cerdulatinib is an oral, dual spleen tyrosine kinase (Syk) and janus kinase (JAK) inhibitor that uniquely inhibits two key cell signaling pathways that promote cancer cell growth in certain hematologic malignancies – the B-cell receptor pathway via Syk and key cytokine receptors via JAK Being developed to treat patients with hematologic cancers, specifically those who have relapsed or who have not responded to prior therapies. Cerdulatinib is in Phase 2 study evaluating the safety and efficacy of cerdulatinib in patients with relapsed/refractory B-cell malignancies who have failed multiple therapies.

Approval Year

TargetsConditions
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
The novel kinase inhibitor PRT062070 (Cerdulatinib) demonstrates efficacy in models of autoimmunity and B-cell cancer.
2014 Dec
Patents

Sample Use Guides

Rat: in a rat collagen-induced arthritis model, Cerdulatinib (5 mg/kg p.o.) significantly improves inflammatory infiltrate within the synovium and the integrity of the articular cartilage.
Route of Administration: Oral
In biochemical assays, cerdulatinib demonstrated inhibitory activity against 24 kinases with IC50’s < 200 nM. Cerdulatinib demonstrated sensitivity to cerdulatinib with IC50 at or below ~2 uM. ABC cell lines with relatively higher total and phosphorylated STAT3 displayed good sensitivity to the drug with IC50 ranging from 0.29 to 1.80 uM.
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:35:25 UTC 2023
Edited
by admin
on Sat Dec 16 01:35:25 UTC 2023
Record UNII
D1LXQ45S1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CERDULATINIB
INN   WHO-DD  
INN  
Official Name English
5-PYRIMIDINECARBOXAMIDE, 4-(CYCLOPROPYLAMINO)-2-((4-(4-(ETHYLSULFONYL)-1-PIPERAZINYL)PHENYL)AMINO)-
Systematic Name English
PRT-062070
Code English
RVT-502
Code English
cerdulatinib [INN]
Common Name English
4-(CYCLOPROPYLAMINO)-2-((4-(4-(ETHANESULFONYL)PIPERAZIN-1-YL)PHENYL)AMINO)PYRIMIDINE-5-CARBOXAMIDE
Systematic Name English
Cerdulatinib [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 651118
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
Code System Code Type Description
INN
9987
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
PUBCHEM
44595079
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
FDA UNII
D1LXQ45S1O
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
DRUG BANK
DB15499
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
CAS
1198300-79-6
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID001115521
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
WIKIPEDIA
Cerdulatinib
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
SMS_ID
300000014440
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545284
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
NCI_THESAURUS
C113173
Created by admin on Sat Dec 16 01:35:25 UTC 2023 , Edited by admin on Sat Dec 16 01:35:25 UTC 2023
PRIMARY
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