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NG 52

CAT: 0931-T2028-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T2028-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
212779-48-1
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9946
Bioactivity
NG 52 (NG-52) is a cell-permeable, reversible, and ATP-compatible inhibitor of the cell cycle-regulating kinase Cdc28p and the related Pho85p kinase.
Smiles
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Molecular Formula
C16H19ClN6O
Molecular Weight
346.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
CAS Number212779-48-1
PubChem CID2856
IUPAC Name2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol
Molecular FormulaC16H19ClN6O
Molecular Weight346.81
XLogP2.9
Topological Polar Surface Area87.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity401
SMILES
CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
InChIKey
XZEFMZCNXDQXOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
CAS: 212779-48-1
CID: 2856
Formula: C16H19ClN6O
MW: 346.81
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.81
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass346.1308869
Monoisotopic Mass346.1308869
Topological Polar Surface Area87.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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