BMS-214662 mesylateProduct ingredient for BMS-214662

Name
BMS-214662 mesylate
Drug Entry
BMS-214662

BMS-214662 has been used in trials studying the treatment of Childhood Myelodysplastic Syndromes, Refractory Anemia With Excess Blasts, Recurrent Adult Acute Myeloid Leukemia, Relapsing Chronic Myelogenous Leukemia, and Adult Acute Promyelocytic Leukemia (M3), among others.

Accession Number
DBSALT002162
Structure
Synonyms
Not Available
UNII
CY68RYB4QI
CAS Number
474010-58-7
Weight
Average: 585.71
Monoisotopic: 585.117432511
Chemical Formula
C26H27N5O5S3
InChI Key
GQZSWQUMYWWKTN-GNAFDRTKSA-N
InChI
InChI=1S/C25H23N5O2S2.CH4O3S/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22;1-5(2,3)4/h1-11,14,18,23H,12,15-17H2,(H,27,28);1H3,(H,2,3,4)/t23-;/m1./s1
IUPAC Name
(3R)-3-benzyl-1-[(1H-imidazol-5-yl)methyl]-4-(thiophene-2-sulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile; methanesulfonic acid
SMILES
CS(O)(=O)=O.O=S(=O)(N1CC2=CC(=CC=C2N(CC2=CN=CN2)C[C@H]1CC1=CC=CC=C1)C#N)C1=CC=CS1
ChemSpider
30649724
Predicted Properties
PropertyValueSource
Water Solubility0.0163 mg/mLALOGPS
logP2.86ALOGPS
logP4.09Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)12.61Chemaxon
pKa (Strongest Basic)6.61Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area93.09 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity133.55 m3·mol-1Chemaxon
Polarizability50.81 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon