Briciclib SodiumProduct ingredient forBriciclib

Name
Briciclib Sodium
Drug Entry
Briciclib

Briciclib has been used in trials studying the treatment of Lymphoma, Neoplasms, Advanced Solid Tumor, and Acute Lymphocytic Leukemia.

Accession Number
DBSALT002120
Structure
Synonyms
Not Available
UNII
7C9N0VM8NR
CAS Number
865784-01-6
Weight
Average: 518.38
Monoisotopic: 518.03884361
Chemical Formula
C19H21Na2O10PS
InChI Key
MIBWXNAYNGADJD-MIIBGCIDSA-L
InChI
InChI=1S/C19H23O10PS.2Na/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22;;/h5-11H,12H2,1-4H3,(H2,20,21,22);;/q;2*+1/p-2/b8-7+;;
IUPAC Name
disodium 2-methoxy-5-{[(E)-2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}phenyl phosphate
SMILES
[Na+].[Na+].COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(OP([O-])([O-])=O)=C2)C(OC)=C1
ChemSpider
32058874
ChEMBL
CHEMBL3137303
Predicted Properties
Property Value Source
Water Solubility 0.36 mg/mL ALOGPS
logP 2.34 ALOGPS
logP 1.32 Chemaxon
logS -3.2 ALOGPS
pKa (Strongest Acidic) 1.62 Chemaxon
pKa (Strongest Basic) -4.3 Chemaxon
Physiological Charge -2 Chemaxon
Hydrogen Acceptor Count 9 Chemaxon
Hydrogen Donor Count 0 Chemaxon
Polar Surface Area 143.48 Å2 Chemaxon
Rotatable Bond Count 10 Chemaxon
Refractivity 110.83 m3·mol-1 Chemaxon
Polarizability 44.28 Å3 Chemaxon
Number of Rings 2 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five No Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule No Chemaxon