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
Thumb
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
PropertyValueSource
Water Solubility0.15 mg/mLALOGPS
logP1.77ALOGPS
logP2.06ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)16.31ChemAxon
pKa (Strongest Basic)7.22ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area91.74 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity85.47 m3·mol-1ChemAxon
Polarizability31.93 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon