BMS-214662 hydrochlorideProduct ingredient for BMS-214662
- Name
- BMS-214662 hydrochloride
- 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
- DBSALT002163
- Structure
Structure for BMS-214662 hydrochloride (DBSALT002163)
- Synonyms
- Not Available
- UNII
- 2ZRT8VWQ9J
- CAS Number
- 195981-08-9
- Weight
- Average: 526.07
Monoisotopic: 525.1059951 - Chemical Formula
- C25H24ClN5O2S2
- InChI Key
- LBPFLNDUCNNGPS-GNAFDRTKSA-N
- InChI
- InChI=1S/C25H23N5O2S2.ClH/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;/h1-11,14,18,23H,12,15-17H2,(H,27,28);1H/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 hydrochloride
- SMILES
- Cl.O=S(=O)(N1CC2=CC(=CC=C2N(CC2=CN=CN2)C[C@H]1CC1=CC=CC=C1)C#N)C1=CC=CS1
- External Links
- ChemSpider
- 30649706
- Predicted Properties
Property Value Source Water Solubility 0.0163 mg/mL ALOGPS logP 2.86 ALOGPS logP 4.09 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 12.61 Chemaxon pKa (Strongest Basic) 6.61 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 93.09 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 133.55 m3·mol-1 Chemaxon Polarizability 50.81 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon