Briciclib SodiumProduct ingredient for Briciclib

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
PropertyValueSource
Water Solubility0.36 mg/mLALOGPS
logP2.34ALOGPS
logP1.32Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)1.62Chemaxon
pKa (Strongest Basic)-4.3Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area143.48 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity110.83 m3·mol-1Chemaxon
Polarizability44.28 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon