SNS-314 mesylateProduct ingredient for SNS-314

Name
SNS-314 mesylate
Drug Entry
SNS-314

SNS-314 is a potent and selective inhibitor of Aurora kinases A, B, and C. Proliferating cells treated with SNS-314 bypass the mitotic spindle checkpoint and fail to undergo cytokinesis, leading to multiple rounds of endoreduplication and eventually cell death. SNS-314 inhibits tumor growth in a variety of preclinical models, and it is now being tested in single agent Phase 1 studies in patients with advanced solid tumours.

Accession Number
DBSALT002371
Structure
Thumb
Synonyms
Not Available
UNII
KGW32FDY3U
CAS Number
1146618-41-8
Weight
Average: 527.03
Monoisotopic: 526.0318443
Chemical Formula
C19H19ClN6O4S3
InChI Key
FYCODPVDEFFWSR-UHFFFAOYSA-N
InChI
InChI=1S/C18H15ClN6OS2.CH4O3S/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16;1-5(2,3)4/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26);1H3,(H,2,3,4)
IUPAC Name
1-(3-chlorophenyl)-3-{5-[2-({thieno[3,2-d]pyrimidin-4-yl}amino)ethyl]-1,3-thiazol-2-yl}urea; methanesulfonic acid
SMILES
CS(O)(=O)=O.ClC1=CC=CC(NC(=O)NC2=NC=C(CCNC3=C4SC=CC4=NC=N3)S2)=C1
ChemSpider
23335848
ChEMBL
CHEMBL518051
Predicted Properties
PropertyValueSource
Water Solubility0.00971 mg/mLALOGPS
logP3.75ALOGPS
logP4.62ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)10.16ChemAxon
pKa (Strongest Basic)3.86ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area91.83 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity114.94 m3·mol-1ChemAxon
Polarizability42.31 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon