CAS 212844-54-7|Purvalanol B
Introduction：Basic information about CAS 212844-54-7|Purvalanol B, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Purvalanol B | ||
|---|---|---|---|
| CAS Number | 212844-54-7 | Molecular Weight | 432.904 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 660.6±65.0 °C at 760 mmHg |
| Molecular Formula | C20H25ClN6O3 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 353.3±34.3 °C |
Names
| Name | Purvalanol B,(2R)-2-[[6-[(3-Chloro-4-carboxyphenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-1-butanol |
|---|---|
| Synonym | More Synonyms |
Purvalanol B BiologicalActivity
| Description | Purvalanol B(NG-95) is a cyclin-dependent kinase inhibitor with IC50 values of 6, 6, 9, > 10,000, and 6 nM for cdc2/cyclin B, cdk2/cyclin A, cdk2/cyclin E, cdk4/cyclin D1 and cdk5-p35 respectively. IC50 Value: 6 nM(cdc2/cyclin B); 6 nM(cdk2/cyclin A); 9 nM(cdk2/cyclin E); 6 nM(cdk5-p35)[1]Target: cdc2/cyclin B; cdk2/cyclin E; cdk5-p35in vitro: In vitro inhibitory activity against Cyclin-dependent kinase 1-cyclin B complex from starfish oocytes is 6 nM (IC50) [1]. In addition to CDK1, p42/p44 MAPK were found to be two major purvalanol-interacting proteins in five different mammalian cell lines (CCL39, PC12, HBL100, MCF-7 and Jurkat cells), suggesting the generality of the purvalanol/p42/p44 MAPK interaction. When cells were treated with purvalanol, p42/p44 MAPK and CDK1 activities were inhibited in a dose-dependent manner. Furthermore, purvalanol inhibited the nuclear accumulation of p42/p44 MAPK, an event dependent on the catalytic activity of these kinases [2].in vivo: |
|---|---|
| Related Catalog | Research Areas >>Cancer |
| Target | cdc2/cyclin B:6 nM (IC50) cyclin dependent kinase 1-cyclinB:6 nM (IC50) cdk2/cyclin A:6 nM (IC50) CDK2/cyclinE:9 nM (IC50) CDK5/p35:6 nM (IC50) Cdk4/cyclin D1:10000 nM (IC50) TrkA:51 nM (IC50) TrkB:11 nM (IC50) |
| References | [1]. purvalanol B (CID 448991) - Compound BioActivity Data [2]. Knockaert M, et al. p42/p44 MAPKs are intracellular targets of the CDK inhibitor purvalanol. Oncogene. 2002 Sep 19;21(42):6413-24. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 660.6±65.0 °C at 760 mmHg |
| Molecular Formula | C20H25ClN6O3 |
| Molecular Weight | 432.904 |
| Flash Point | 353.3±34.3 °C |
| Exact Mass | 432.167664 |
| PSA | 125.19000 |
| LogP | 2.42 |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.673 |
| InChIKey | ZKDXRFMOHZVXSG-HNNXBMFYSA-N |
| SMILES | CC(C)C(CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1 |
| Storage condition | 2-8℃ |
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| RIDADR | NONH for all modes of transport |
Synonyms
| 2-Chloro-4-[(2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzoic acid |
| Purvalanol B |
| Benzoic acid, 2-chloro-4-[[2-[[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-(1-methylethyl)-9H-purin-6-yl]amino]- |
| ng 95 |
| 2-Chloro-4-[(2-{[(2R)-1-hydroxy-3-methyl-2-butanyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzoic acid |
