Elimusertib

Base Information

• Chemical Name: Elimusertib
• CAS No.: 1876467-74-1
• Molecular Formula: C20H21N7O
• Molecular Weight: 375.4
• UNII: 7N13IK9LNH
• Wikidata: Q76854292
• NCI Thesaurus Code: C146807
• Pharos Ligand ID: TP72653J95FH
• ChEMBL ID: CHEMBL4647810
• Mol file: 1876467-74-1.mol

Synonyms:(R)-3-methyl-4-(4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-3-yl)-1,7-naphthyridin-2-yl)morpholine;BAY 1895344

Chemical Property of Elimusertib

Chemical Property:

• PKA: 11.09±0.10(Predicted)
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 375.18075832
• Heavy Atom Count: 28
• Complexity: 537

Purity/Quality:

99% ^*data from raw suppliers

BAY-1895344 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
• Isomeric SMILES: C[C@@H]1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C
• Recent ClinicalTrials: Testing the Addition of an Anticancer Drug, BAY 1895344, to the Usual Chemotherapy With FOLFIRI in Advanced or Metastatic Cancers of the Stomach and Intestines
• Recent EU Clinical Trials: An open-label, first-in-human, dose-escalation study to evaluate the safety, tolerability, pharmacokinetics, pharmacodynamics, and maximum tolerated dose and / or recommended Phase II dose of the ATR inhibitor BAY 1895344 in patients with advanced solid tumors and lymphomas.
• Uses: BAY-1895344 is a selective ATR (ataxia-telangiectasia and Rad3 related protein) inhibitor used in the treatment of advanced hyperproliferative disease, prophylaxis, solid tumors and lymphomas.