Avapritinib

Base Information

• Chemical Name: Avapritinib
• CAS No.: 1703793-34-3
• Molecular Formula: C26H27FN10
• Molecular Weight: 498.6
• UNII: 513P80B4YJ
• DSSTox Substance ID: DTXSID301027935
• Wikipedia: Avapritinib
• Wikidata: Q29213676
• NCI Thesaurus Code: C123827
• RXCUI: 2272107
• Pharos Ligand ID: BUBUSK1338HA
• Metabolomics Workbench ID: 155361
• ChEMBL ID: CHEMBL4204794
• Mol file: 1703793-34-3.mol

Synonyms:(1S)-1-(4-Fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo(2,1-f)(1,2,4)triazin-4-yl)-1-piperazinyl)-5-pyrimidinyl)ethanamine;5-Pyrimidinemethanamine, alpha-(4-fluorophenyl)-alpha-methyl-2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo(2,1-f)(1,2,4)triazin-4-yl)-1-piperazinyl)-, (alphaS)-;avapritinib;ayvakit;BLU-285

Chemical Property of Avapritinib

Chemical Property:

• PKA: 6.96±0.10(Predicted)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 498.24041907
• Heavy Atom Count: 37
• Complexity: 752

Purity/Quality:

99%, ^*data from raw suppliers

BLU-285(Avapritinib) >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N
• Isomeric SMILES: C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N
• Recent ClinicalTrials: Avapritinib in CBF-AML With KIT Mutations
• Recent EU Clinical Trials: Open-Label Extension Study to Evaluate the Safety of Long-Term Treatment with Avapritinib for Patients Previously Involved in an Avapritinib Study
• Description: BLU-285 is a dual inhibitor of KIT receptor and platelet-derived growth factor receptor α (PDGFRα) tyrosine kinases with activating loop mutations (IC50s = 0.27 and 0.24 nM for KITD816V and PDGFRαD842V, respectively). It is >150-fold selective for KITD816V and PDGFRαD842V over a kinase panel at a concentration of 3 μM. BLU-285 also has activity against a panel of KIT and PDGFRα loop mutants identified in patients with gastrointestinal stromal tumors (GISTs; IC50s = <100 nM). It inhibits growth of cancer cell lines containing wild-type and mutant KIT and PDGFRα, demonstrating increased potency in cell lines expressing KIT and PDGFRα with activating loop mutations. BLU-285 (0.3-30 mg/kg) reduces tumor volume in a P815 KITD814Y mastocytoma allograft mouse model and a GIST patient-derived mouse xenograft model in a dose-dependent manner. Formulations containing BLU-285 have been used to treat KIT- and PDGFRα-driven malignancies.
• Uses: Avapritinib is a medication used for the treatment of tumors due to one specific rare mutation. Avapritinib is a potent, selective, and orally active KIT and PDGFRA activation loop mutant kinases inhibitor.

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