Purvalanol B

• CAT Number: I002640
• CAS Number: 212844-54-7
• Molecular Formula: C20H25ClN6O3
• Molecular Weight: 432.9
• Purity: ≥95%
• Synonyms: 2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid
• Target: Cyclin-Dependent Kinases
• Solubility: DMSO: ≥ 40 mg/mL
• Storage: Store at +4°C
• IC50: 6 nM(cdc2/cyclin B); 6 nM(cdk2/cyclin A); 9 nM(cdk2/cyclin E); 6 nM(cdk5-p35)[1]
• InChI: InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
• InChIKey: ZKDXRFMOHZVXSG-HNNXBMFYSA-N
• SMILES: CC(C)N1C2=NC(N[C@H](C(C)C)CO)=NC(NC3=CC(Cl)=C(C(O)=O)C=C3)=C2N=C1

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:

Reference

1:Effects of cyclin-dependent kinase inhibitor Purvalanol B application on protein expression and developmental progression in intra-erythrocytic Plasmodium falciparum parasites. Bullard KM, Broccardo C, Keenan SM.Malar J. 2015 Apr 8;14:147. doi: 10.1186/s12936-015-0655-x. PMID: 25879664 Free PMC Article2:VMY-1-103, a dansylated analog of purvalanol B, induces caspase-3-dependent apoptosis in LNCaP prostate cancer cells. Ringer L, Sirajuddin P, Yenugonda VM, Ghosh A, Divito K, Trabosh V, Patel Y, Brophy A, Grindrod S, Lisanti MP, Rosenthal D, Brown ML, Avantaggiati ML, Rodriguez O, Albanese C.Cancer Biol Ther. 2010 Aug 15;10(4):320-5. Epub 2010 Aug 3. PMID: 20574155 Free PMC Article