Biib021 MesylateProduct ingredient for BIIB021
- Name
- Biib021 Mesylate
- Drug Entry
- BIIB021
BIIB021 has been investigated for the treatment of Tumors and Lymphoma.
- Accession Number
- DBSALT002182
- Structure
Structure for Biib021 Mesylate (DBSALT002182)
- Synonyms
- Not Available
- UNII
- 389JLN330H
- CAS Number
- 1225041-97-3
- Weight
- Average: 414.87
Monoisotopic: 414.087702 - Chemical Formula
- C15H19ClN6O4S
- InChI Key
- QQYUAUPJJLOCHU-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H15ClN6O.CH4O3S/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21;1-5(2,3)4/h4,6H,5H2,1-3H3,(H2,16,19,20);1H3,(H,2,3,4)
- IUPAC Name
- 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.COC1=C(C)C(CN2C=NC3=C(Cl)N=C(N)N=C23)=NC=C1C
- External Links
- ChemSpider
- 32702068
- Predicted Properties
Property Value Source Water Solubility 0.15 mg/mL ALOGPS logP 1.77 ALOGPS logP 2.06 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 16.31 Chemaxon pKa (Strongest Basic) 7.22 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 91.74 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 85.47 m3·mol-1 Chemaxon Polarizability 31.93 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon