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ChemicalBook--->CAS DataBase List--->220792-57-4

220792-57-4

220792-57-4 Structure

220792-57-4 Structure
IdentificationBack Directory
[Name]

AMINOPURVALANOL A
[CAS]

220792-57-4
[Synonyms]

NG-97
AMINOPURVALANOL A
AMINOPURVALANOL A (APURV)
(2R)-2-[[6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-(1-METHYLETHYL)-9H-PURIN-2-YL]AMINO]-3-METHYL-1-BUTANOL
1-Butanol, 2-[[6-[(3-amino-5-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-, (2R)-
[Molecular Formula]

C19H26ClN7O
[MDL Number]

MFCD06798384
[MOL File]

220792-57-4.mol
[Molecular Weight]

403.91
Chemical PropertiesBack Directory
[Boiling point ]

639.0±65.0 °C(Predicted)
[density ]

1.40±0.1 g/cm3(Predicted)
[storage temp. ]

Store at +4°C
[solubility ]

Soluble to 100 mM in DMSO
[form ]

White to brownish solid.
[pka]

14.51±0.10(Predicted)
[color ]

Off-white to light yellow
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

Aminopurvalanol A is a reversible and ATP-competitive inhibitor of Cdks.
[Definition]

ChEBI: Aminopurvalanol is a purvalanol and a member of monochlorobenzenes. It has a role as a protein kinase inhibitor.
[Biological Activity]

Cell-permeable cyclin-dependent kinase inhibitor. IC 50 values are 0.033, 0.033, 0.028 and 0.020 μ M for cdk1/cyclin B, cdk2/cyclin A, cdk2/cyclin E, and cdk5/p35 respectively. Inhibits ERK1 (IC 50 = 12.0 μ M) and ERK2 (IC 50 = 3.1 μ M) and is 3000-fold selective over a range of other protein kinases (IC 50 > 100 μ M). Arrests cell cycle at G 2 /M boundary (IC 50 = 1.25 μ M), and induces apoptosis at concentrations > 10 μ M.
[Enzyme inhibitor]

This cell-permeable purvalanol derivative (FW = 403.92 g/mol), also named (2R)-2-[[6-[(3-Amino-5-chlorophenyl)amino]-9-(1-methylethyl)- 9H-purin-2-yl]amino]-3-methyl-1-butanol, targets cdk1/cyclin B (IC50 = 0.033 μM), cdk2/cyclin A (IC50 = 0.033 μM), cdk2/cyclin E (IC50 = 0.028 μM), and cdk5/p35 (IC50 = 0.020 μM). It also inhibits ERK1 (IC50 = 12 μM) and ERK2 (IC50 = 3.1 μM), with 3000-times greater selectivity versus a range of other protein kinases (IC50 > 100 μM). Aminopurvalanol A arrests cell cycle at G2/M boundary (IC50 = 1.25 μM), and induces apoptosis at concentrations > 10 μM.
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

AMINOPURVALANOL A(220792-57-4)1HNMR
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