Abivertinib maleateProduct ingredient for Abivertinib
- Name
- Abivertinib maleate
- Drug Entry
- Abivertinib
Abivertinib is a tyrosine kinase inhibitor targeted against mutant forms of both human epidermal growth factor receptor (EGFR) and Bruton's tyrosine kinase (BTK).1 It has been investigated for use in the treatment of non-small cell lung cancer (NSCLC) and B-cell malignancies. In binding to and inhibiting EGFR and BTK receptors, abivertinib exerts immunomodulatory effects by preventing the production and release of pro-inflammatory cytokines (e.g. TNF-alpha, interleukins).2
Abivertinib's potential to depress cytokine production has led to its investigation in the treatment of hospitalized patients with moderate-to-severe COVID-19.2,3 The cytokine storm associated with COVID-19 is thought to contribute to disease progression and is associated with poor outcomes in patients - as abivertinib inhibits the release of multiple cytokines at once, it may provide more pronounced clinical benefits as compared to agents targeting single pathways (e.g. interleukin-6 inhibitors). The study is expected to be completed in March 2021.4
- Accession Number
- DBSALT003049
- Structure
Structure for Abivertinib maleate (DBSALT003049)
- Synonyms
- Abivertinib maleate / Abivertinib maleate dihydrate
- External IDs
- A-610MA / A610MA / AC-0010MA / AC0010MA / ACEA-100610MA / ACEA100610MA / EX-ACEA-0010MA / EX-ACEA0010MA
- UNII
- Y50131AMFJ
- CAS Number
- 1822357-78-7
- Weight
- Average: 639.641
Monoisotopic: 639.245289246 - Chemical Formula
- C30H34FN7O8
- InChI Key
- QITOONQVTOGMOJ-IUJXYRIYSA-N
- InChI
- InChI=1S/C26H26FN7O2.C4H4O4.2H2O/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34;5-3(6)1-2-4(7)8;;/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32);1-2H,(H,5,6)(H,7,8);2*1H2/b;2-1-;;
- IUPAC Name
- (2Z)-but-2-enedioic acid N-{3-[(2-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide dihydrate
- SMILES
- O.O.OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C1=C(F)C=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3C=CNC3=N2)C=C1
- External Links
- ChemSpider
- 68007303
- ChEMBL
- CHEMBL4297866
- Predicted Properties
Property Value Source Water Solubility 0.0276 mg/mL ALOGPS logP 4.33 ALOGPS logP 4.82 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 12.6 Chemaxon pKa (Strongest Basic) 7.25 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 98.41 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 138.95 m3·mol-1 Chemaxon Polarizability 52.13 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon