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Chemical Structure| 1876467-74-1 Chemical Structure| 1876467-74-1

Structure of Elimusertib
CAS No.: 1876467-74-1

Chemical Structure| 1876467-74-1

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BAY-1895344 is a potent and selective ATR inhibitor with IC50 of 7 nM.

Synonyms: BAY-1895344; BAY 1895344

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Product Details of Elimusertib

CAS No. :1876467-74-1
Formula : C20H21N7O
M.W : 375.43
SMILES Code : CN1N=CC=C1C2=CC(N3[C@H](C)COCC3)=NC4=C(C5=NNC=C5)N=CC=C24
Synonyms :
BAY-1895344; BAY 1895344
MDL No. :MFCD31561442
InChI Key :YBXRSCXGRPSTMW-CYBMUJFWSA-N
Pubchem ID :118869362

Safety of Elimusertib

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Related Pathways of Elimusertib

DNA
PI3K-AKT

Isoform Comparison

Biological Activity

In Vitro:

Cell Line
Concentration Treated Time Description References
CLB-GAR 30 nM 6 hours To investigate the effect of ALK inhibition on CHK1 phosphorylation, results showed lorlatinib treatment decreased CHK1 S280 phosphorylation. PMC10769851
CLB-GE 30 nM 6 hours To investigate the effect of ALK inhibition on CHK1 phosphorylation, results showed lorlatinib treatment decreased CHK1 S280 phosphorylation. PMC10769851
NB1 100 nM 2 hours To investigate the effect of ALK signaling on ATR and CHK1 phosphorylation, results showed ALKAL2 stimulation increased CHK1 S280 phosphorylation. PMC10769851
CLB-BAR 100 nM 2 hours To investigate the effect of ALK signaling on ATR and CHK1 phosphorylation, results showed ALKAL2 stimulation increased CHK1 S280 phosphorylation. PMC10769851
HCC1954-TDM1R 100 nM 48 hours To evaluate the antiproliferative effect of elimusertib in combination with T-DXd, results showed that the combination significantly increased the expression of DNA damage marker pH2AX PMC11337831
SUM190-TDM1R 100 nM 48 hours To evaluate the antiproliferative effect of elimusertib in combination with T-DXd, results showed that the combination significantly increased the expression of DNA damage marker pH2AX and apoptosis marker cleaved PARP PMC11337831
DMG cells 200 nM 24 hours Evaluated the effect of ATR inhibition on DMG cells, showing significant increase in replication stress and DNA damage when combined with DHODH inhibitor BAY2402234. PMC9575661
CCHE-45 cells 50 nM 8 hours To assess the synergistic effects of melphalan and elimusertib combination on CPC cells, results showed significant changes in transcriptomic profiles, activating key biological processes such as DNA repair and apoptosis. PMC10174050
Glioma sphere-forming cells (GSCs) 0.25 μM to 2.25 μM 72 hours Evaluated the synergistic effect of TMZ and elimusertib, finding that MGMT-methylated GSCs exhibited synergy under combination treatment. PMC10783493
Glioma sphere-forming cells (GSCs) 10 nM–2 μM 3 days Evaluated the synergistic effect of TMZ and elimusertib, finding that MGMT-methylated GSCs exhibited synergy under combination treatment. PMC10783493

In Vivo:

Species
Animal Model
Administration Dosage Frequency Description References
Mouse Alk-F1178S;Th-MYCN mouse neuroblastoma model Oral 25 mg/kg Twice daily for 14 days To evaluate the efficacy of elimusertib monotherapy versus combination therapy with lorlatinib, results showed combination therapy led to complete tumor regression without relapse. PMC10769851
Nude mice HER2+ breast cancer xenograft models Oral gavage 10 mg/kg Twice daily for 3 consecutive days per week To evaluate the antitumor effect of elimusertib in combination with T-DXd, results showed that the combination significantly enhanced the antitumor effect of T-DXd in TDM1R and TDXdR models PMC11337831
NSG mice Intracranial DMG xenograft model Oral 200 nM Once daily until euthanasia Assessed the efficacy of ATR inhibitor elimusertib in combination with DHODH inhibitor BAY2402234, showing significant prolongation of survival in mice bearing DMG xenografts. PMC9575661
Mice MYC-OE CPC genetic model Intra-arterial injection 0.22 mg/kg Single injection To evaluate the survival impact of melphalan and elimusertib combination therapy in a CPC mouse model, results showed a significant extension in median survival (51 days vs 38.5 days in control). PMC10174050
Nude mice Intracranial glioma model Oral gavage 50 mg/kg/day 3 days/week for 4 weeks Assessed the in vivo efficacy of elimusertib combined with TMZ in MGMT-methylated tumors, showing that combination treatment significantly improved mouse survival. PMC10783493
CB17/SCID mice ULMS patient-derived xenograft models Oral gavage 20 mg/kg Twice daily, 3 days on/4 days off To evaluate the antitumor activity and survival prolongation effect of Elimusertib on ATRX-mutated uLMS PDX models. Results showed significant tumor growth inhibition (p<0.001) and prolonged median overall survival (PDX LEY-11: 12.5 vs. 42 days; PDX LEY-16: 33 vs. 60 days) compared to control. PMC9797429

Clinical Trial:

NCT Number Conditions Phases Recruitment Completion Date Locations
NCT05071209 Recurrent Alveolar Rhabdomyosa... More >>rcoma|Recurrent Ewing Sarcoma|Recurrent Lymphoma|Recurrent Malignant Solid Neoplasm|Refractory Alveolar Rhabdomyosarcoma|Refractory Ewing Sarcoma|Refractory Lymphoma|Refractory Malignant Solid Neoplasm Less << PHASE1|PHASE2 ACTIVE_NOT_RECRUITING 2025-11-22 Children's Hospital of Alabama... More >>, Birmingham, Alabama, 35233, United States|Children's Hospital Los Angeles, Los Angeles, California, 90027, United States|Children's Hospital of Orange County, Orange, California, 92868, United States|UCSF Medical Center-Mission Bay, San Francisco, California, 94158, United States|Children's Hospital Colorado, Aurora, Colorado, 80045, United States|Children's National Medical Center, Washington, District of Columbia, 20010, United States|Johns Hopkins All Children's Hospital, Saint Petersburg, Florida, 33701, United States|Lurie Children's Hospital-Chicago, Chicago, Illinois, 60611, United States|Riley Hospital for Children, Indianapolis, Indiana, 46202, United States|Johns Hopkins University/Sidney Kimmel Cancer Center, Baltimore, Maryland, 21287, United States|Dana-Farber Cancer Institute, Boston, Massachusetts, 02215, United States|C S Mott Children's Hospital, Ann Arbor, Michigan, 48109, United States|University of Minnesota/Masonic Cancer Center, Minneapolis, Minnesota, 55455, United States|Children's Mercy Hospitals and Clinics, Kansas City, Missouri, 64108, United States|Washington University School of Medicine, Saint Louis, Missouri, 63110, United States|NYP/Columbia University Medical Center/Herbert Irving Comprehensive Cancer Center, New York, New York, 10032, United States|Memorial Sloan Kettering Cancer Center, New York, New York, 10065, United States|Duke University Medical Center, Durham, North Carolina, 27710, United States|Cincinnati Children's Hospital Medical Center, Cincinnati, Ohio, 45229, United States|Nationwide Children's Hospital, Columbus, Ohio, 43205, United States|Oregon Health and Science University, Portland, Oregon, 97239, United States|Children's Hospital of Philadelphia, Philadelphia, Pennsylvania, 19104, United States|Children's Hospital of Pittsburgh of UPMC, Pittsburgh, Pennsylvania, 15224, United States|Saint Jude Children's Research Hospital, Memphis, Tennessee, 38105, United States|Vanderbilt University/Ingram Cancer Center, Nashville, Tennessee, 37232, United States|UT Southwestern/Simmons Cancer Center-Dallas, Dallas, Texas, 75390, United States|Cook Children's Medical Center, Fort Worth, Texas, 76104, United States|Baylor College of Medicine/Dan L Duncan Comprehensive Cancer Center, Houston, Texas, 77030, United States|Centre Hospitalier Universitaire Sainte-Justine, Montreal, Quebec, H3T 1C5, Canada Less <<

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

2.66mL

0.53mL

0.27mL

13.32mL

2.66mL

1.33mL

26.64mL

5.33mL

2.66mL

References

 

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