Purvalanol B
2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid
Also Known As: Purvalanol B|PurvalanolB|purvalanol-B|Purvalanol B(NG 95)|Tocris-1581|1v0p|Purvalanol B(NG-95)|Purvalanol B(NG-95)?|NG 95|BDBM7478|GTPL7806|NG-95|NG95|KS-00001DAZ|EX-A354|SYN1070|5-NITRO-2-PHTALIMIDOINDAN|NG 95;NG95;NG-95|3984AH|RS0025|(R)-2-chloro-4-((2-((1-hydroxy-3-methylbutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)benzoic acid|CS-1714
| Molecular Formula | C20H25ClN6O3 |
|---|---|
| Molecular Weight | 432.16766 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.16766 |
| Monoisotopic Mass | 432.16766 |
| Heavy Atoms | 30 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 212845-48-2 |
|---|---|
| SMILES | CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)C(=O)O)Cl |
| InChIKey | ZKDXRFMOHZVXSG-HNNXBMFYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Purvalanol B (CAS 212845-48-2), with molecular formula C20H25ClN6O3 and molecular weight 432.16766 g/mol. IUPAC: 2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid.
Purvalanol B is a custom synthesis product. We offer services from milligram to kilogram scale.
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