Enasidenib mesylateProduct ingredient for Enasidenib
- Name
- Enasidenib mesylate
- Drug Entry
- Enasidenib
Enasidenib is an orally available treatment for the treatment of adult patients with relapsed or refractory acute myeloid leukemia (AML) with specific mutations in the isocitrate dehydrogenase 2 (IDH2) gene, which is a recurrent mutation detected in 12-20% of adult patients with AML 1,2. Patients eligible for this treatment are selected by testing the presence of IDH2 mutations in the blood or bone marrow. This small molecule acts as an allosteric inhibitor of mutant IDH2 enzyme to prevent cell growth, and it also has shown to block several other enzymes that play a role in abnormal cell differentiation. First developed by Agios Pharmaceuticals and licensed to Celgene, enasidenib was approved by U.S. Food and Drug Administration on August 1, 2017.
- Accession Number
- DBSALT002582
- Structure
Structure for Enasidenib mesylate (DBSALT002582)
- Synonyms
- Enasidenib mesilate / Enasidenib methanesulfonate
- External IDs
- CC-90007
- UNII
- UF6PC17XAV
- CAS Number
- 1650550-25-6
- Weight
- Average: 569.48
Monoisotopic: 569.127992336 - Chemical Formula
- C20H21F6N7O4S
- InChI Key
- ORZHZQZYWXEDDL-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H17F6N7O.CH4O3S/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25;1-5(2,3)4/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32);1H3,(H,2,3,4)
- IUPAC Name
- 2-methyl-1-({4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]imino}-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene}amino)propan-2-ol; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CC(C)(O)CN=C1NC(NC(=N1)C1=NC(=CC=C1)C(F)(F)F)=NC1=CC(=NC=C1)C(F)(F)F
- External Links
- ChemSpider
- 52084334
- ChEMBL
- CHEMBL3989931
- Predicted Properties
Property Value Source Water Solubility 0.0235 mg/mL ALOGPS logP 3.53 ALOGPS logP 3.05 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) -0.68 Chemaxon pKa (Strongest Basic) 15.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 107.15 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 106.34 m3·mol-1 Chemaxon Polarizability 41.22 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon