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| CAS No.: | 414864-00-9 |
|---|---|
| Name: | Belinostat (PXD101) |
| Molecular Structure: | |
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| Formula: | C15H14N2O4S |
| Molecular Weight: | 318.353 |
| Synonyms: | PXD101;N-Hydroxy-3-(3-phenylsulfamoylphenyl)acrylamide; |
| Density: | 1.428 g/cm3 |
| PSA: | 103.88000 |
| LogP: | 3.55070 |
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Specification
The Belinostat, with the CAS registry number 414864-00-9, is also known as 2-Propenamide, N-hydroxy-3-(3-((phenylamino)sulfonyl)phenyl)-. This chemical's molecular formula is C15H14N2O4S and molecular weight is 318.35. Its IUPAC name is called (E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide. This chemical's classification code is Treatment of cancer. Belinostat is TopoTarget’s lead product that is currently in late-stage clinical development for the treatment of hematological malignancies and solid tumors. Belinostat works through a new mechanism of action to restore cell control which has been shut down by cancer, as a histone deacetylase inhibitor (HDACi).
Physical properties of Belinostat: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.16; (4)ACD/BCF (pH 5.5): 29.36; (5)ACD/BCF (pH 7.4): 24.73; (6)ACD/KOC (pH 5.5): 390.8; (7)ACD/KOC (pH 7.4): 329.14; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.667; (12)Molar Refractivity: 83.03 cm3; (13)Molar Volume: 222.9 cm3; (14)Surface Tension: 68.6 dyne/cm; (15)Density: 1.427 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO
(2)Isomeric SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO
(3)InChI: InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+
(4)InChIKey: NCNRHFGMJRPRSK-MDZDMXLPSA-N