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212844-53-6

212844-53-6 structure
212844-53-6 structure
  • Name: Purvalanol A
  • Chemical Name: purvalanol A
  • CAS Number: 212844-53-6
  • Molecular Formula: C19H25ClN6O
  • Molecular Weight: 388.894
  • Catalog: Biochemical Inhibitor Cell Cycle CDK inhibitor
  • Create Date: 2017-10-06 13:48:03
  • Modify Date: 2024-01-02 09:26:27
  • Purvalanol A is a potent CDK inhibitor, which inhibits cdc2-cyclin B, cdk2-cyclin A, cdk2-cyclin E, cdk4-cyclin D1, and cdk5-p35 with IC50s of 4, 70, 35, 850, 75 nM, resepctively.

Name purvalanol A
Synonyms P01
2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine NG-60
(2R)-2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
NG-60
(2R)-2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol
(2R)-2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methylbutan-1-ol
1-Butanol, 2-[[6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-, (2R)-
Purvalanol A
Purv
Description Purvalanol A is a potent CDK inhibitor, which inhibits cdc2-cyclin B, cdk2-cyclin A, cdk2-cyclin E, cdk4-cyclin D1, and cdk5-p35 with IC50s of 4, 70, 35, 850, 75 nM, resepctively.
Related Catalog
Target

cdc2-cyclin B:4 nM (IC50)

cdk2-cyclin E:35 nM (IC50)

cdk2-cyclin A:70 nM (IC50)

cdk4-cyclin D1:850 nM (IC50)

cdk5-p35:75 nM (IC50)

erk1:9000 nM (IC50)

In Vitro Purvalanol A inhibits cdc28 (S. cerevisiae) and erk1 with IC50s of 80 and 9000 nM. Purvalanol A shows inhibitory activities against the NCI panel of 60 human tumor cell lines, with average GI50 of 2 μM; two cell lines show an ∼20-fold increase in sensitivity to purvalanol A: the KM12 colon cancer cell line with a GI50 of 76 nM and the NCI-H522 non–small cell lung cancer cell line with a GI50 of 347 nM[1]. Purvalanol A is a 2.5-fold more potent inhibitor of CDK2, but also inhibits DYRK1A potently and a number of other protein kinases in the low micromolar range. Purvalanol A inhibits MKK1, MAPK2/ERK2, JNK/SAPK1c with IC50s of 80, 26, 84 μM[2]. Purvalanol A selectively inhibits the phosphorylation of cellular proteins. Purvalanol A prevents the increases of the contents of cyclins D and E during serum-induced G1 phase progression. Purvalanol A does not inhibit transcription under cell-free conditions[3].
References

[1]. Gray NS, et al. Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors. Science. 1998 Jul 24;281(5376):533-8.

[2]. Bain J, et al. The specificities of protein kinase inhibitors: an update. Biochem J. 2003 Apr 1;371(Pt 1):199-204.

[3]. Villerbu N, et al. Cellular effects of purvalanol A: a specific inhibitor of cyclin-dependent kinase activities. Int J Cancer. 2002 Feb 20;97(6):761-9.

Density 1.3±0.1 g/cm3
Boiling Point 590.5±60.0 °C at 760 mmHg
Molecular Formula C19H25ClN6O
Molecular Weight 388.894
Flash Point 310.9±32.9 °C
Exact Mass 388.177826
PSA 87.89000
LogP 2.77
Vapour Pressure 0.0±1.7 mmHg at 25°C
Index of Refraction 1.654
Storage condition −20°C
Water Solubility methylene chloride: 50 mg/mL, clear, colorless
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2933990090
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%