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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.

Originator

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 0.5 nM [IC50]
Inhibitor
8504
 32.0 nM [IC50]
Inhibitor
8504
 8.0 nM [IC50]
Inhibitor
8504
 12.0 nM [IC50]
Inhibitor
8504
 6.0 nM [IC50]
Inhibitor
8504
 4.0 nM [IC50]
Inhibitor
8504
 4.0 nM [IC50]
Inhibitor
8504
 5.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Primary
Phase II
1147
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
1.83 μM
EXPERIMENT
https://www.ncbi.nlm.nih.gov/pubmed/30592080
45 mg 2 times / day steady-state, oral
dose: 45 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CERDULATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1.06 μM
EXPERIMENT
https://www.ncbi.nlm.nih.gov/pubmed/30592080
100 mg 1 times / day steady-state, oral
dose: 100 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CERDULATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
1335 ng × h/mL
CLINICAL TRIAL
https://clinicaltrials.gov/study/NCT01994382?tab=results
45 mg 2 times / day multiple, oral
dose: 45 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERDULATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1.87 μM × h
EXPERIMENT
https://www.ncbi.nlm.nih.gov/pubmed/30592080
45 mg 2 times / day steady-state, oral
dose: 45 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CERDULATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
7.1 μg × h/mL
EXPERIMENT
https://www.ncbi.nlm.nih.gov/pubmed/30592080
100 mg 1 times / day steady-state, oral
dose: 100 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CERDULATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
9.6 h
EXPERIMENT
https://www.ncbi.nlm.nih.gov/pubmed/30592080
45 mg 2 times / day steady-state, oral
dose: 45 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CERDULATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
11.5 h
EXPERIMENT
https://www.ncbi.nlm.nih.gov/pubmed/30592080
100 mg 1 times / day steady-state, oral
dose: 100 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CERDULATINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
22%
EXPERIMENT
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5417366/
CERDULATINIB plasma
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Sourcing

Sourcing

Vendor/AggregatorIDURL
1PlusChem LLC
1P008TVP
https://www.1pchem.com/search?query=1P008TVP
1PlusChem LLC
1P009ZFM
https://www.1pchem.com/search?query=1P009ZFM
AChemBlock
M15643
http://www.achemblock.com/catalogsearch/result/?q=M15643
ApexBio Technology
B8023
https://www.apexbt.com/catalogsearch/result/?q=B8023
AstaTech
C71670
http://astatechinc.com/CPSResult.php?CRNO=C71670
AstaTech
C72485
http://astatechinc.com/CPSResult.php?CRNO=C72485
Axon MedChem
2775
https://www.axonmedchem.com/product/2775
BLD Pharm
BD293312
http://www.bldpharm.com/search/Search.html?keyword=BD293312
BLD Pharm
BD764838
http://www.bldpharm.com/search/Search.html?keyword=BD764838
Chem Scene
CS-3329
http://www.chemscene.com/goproductList/searchProductList?productObj=CS-3329
ChemShuttle
157204
https://www.chemshuttle.com/catalogsearch/result/?q=157204
Debye Scientific
DA-34986
https://www.debyesci.com/index.php?id=product&ext[cno]=DA-34986
eMolecules
50282202
https://orderbb.emolecules.com/search/#?query=50282202
eMolecules
50894592
https://orderbb.emolecules.com/search/#?query=50894592
eNovation Chemicals
D501928
https://www.enovationchem.com/Products.asp?SEARCHTEXT=D501928&searchbtn.x=0&searchbtn.y=0
Excenen
EX-A2143
http://www.excenen.com/searchresultlist.php?id=EX-A2143
KeyOrganics
AS-56368
http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-56368
mcule
MCULE-5253065263
https://mcule.com/MCULE-5253065263/
mcule
MCULE-6000465165
https://mcule.com/MCULE-6000465165/
MedChem Express
HY-15999
https://www.medchemexpress.com/search.html?q=HY-15999&ft=&fa=&fp=
Molnova
M17872
https://www.molnova.com/en/serch-list.html?keywords=M17872
Molnova
M17977
https://www.molnova.com/en/serch-list.html?keywords=M17977
MolPort
MolPort-035-789-721
https://www.molport.com/shop/molecule-link/MolPort-035-789-721
MolPort
MolPort-042-676-155
https://www.molport.com/shop/molecule-link/MolPort-042-676-155
MuseChem
I000045
https://www.musechem.com/product/I000045.html
MuseChem
I000729
https://www.musechem.com/product/I000729.html
Ryan Scientific
IC261
https://ryansci.com/products?q=IC261&list_q=&search_type=exact
Selleck Chemicals
S7634
http://www.selleckchem.com/search.html?searchDTO.searchParam=S7634
ShangHai Biochempartner
BCP10681
http://www.biochempartner.com/search_BCP10681
ShangHai Biochempartner
BCP25893
http://www.biochempartner.com/search_BCP25893
TargetMol
T2487
https://www.targetmol.com/search?keyword=T2487
TargetMol
T6104
https://www.targetmol.com/search?keyword=T6104
PubMed

PubMed

TitleDatePubMed
The novel kinase inhibitor PRT062070 (Cerdulatinib) demonstrates efficacy in models of autoimmunity and B-cell cancer.
2014-12
Patents

Patents

20090318407
2
20120129867
2

Sample Use Guides

In Vivo Use Guide
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 Vitro Use Guide
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 Mon Mar 31 20:54:33 GMT 2025
Edited
by admin
on Mon Mar 31 20:54:33 GMT 2025
Record UNII
D1LXQ45S1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CERDULATINIB
INN   WHO-DD  
INN  
Official Name English
cerdulatinib [INN]
Preferred 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
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 Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
Code System Code Type Description
INN
9987
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
PUBCHEM
44595079
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
FDA UNII
D1LXQ45S1O
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
DRUG BANK
DB15499
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
CAS
1198300-79-6
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID001115521
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
WIKIPEDIA
Cerdulatinib
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
SMS_ID
300000014440
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
ChEMBL
CHEMBL3545284
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
NCI_THESAURUS
C113173
Created by admin on Mon Mar 31 20:54:33 GMT 2025 , Edited by admin on Mon Mar 31 20:54:33 GMT 2025
PRIMARY
Related Record Type Details
NUAK FAMILY SNF1-LIKE KINASE 1
TARGET -> INHIBITOR
IC50
TYROSINE-PROTEIN KINASE JAK2
TARGET -> INHIBITOR
IC50
TYROSINE-PROTEIN KINASE JAK3
TARGET -> INHIBITOR
IC50
5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT .ALPHA.-2
TARGET -> INHIBITOR
IC50
Structure of CERDULATINIB HYDROCHLORIDE
SALT/SOLVATE -> PARENT
SERINE/THREONINE-PROTEIN KINASE 4
TARGET -> INHIBITOR
IC50
TYROSINE-PROTEIN KINASE SYK
TARGET -> INHIBITOR
IC50
NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2
TARGET -> INHIBITOR
IC50
SERINE/THREONINE-PROTEIN KINASE MARK1
TARGET -> INHIBITOR
IC50
TYROSINE-PROTEIN KINASE JAK1
TARGET -> INHIBITOR
IC50
SERINE/THREONINE-PROTEIN KINASE 3
TARGET -> INHIBITOR
IC50
Related Record Type Details
Structure of CERDULATINIB
ACTIVE MOIETY
NIH
NCATS
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DISCLAIMER
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