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NG-52

CAT: 0013-GTR19162779-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162779-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NG 52 (Compound 52) is a potent, cell-permeable, reversible, selective, and ATP-compatible inhibitor of the cell cycle-regulating kinase, Cdc28p (IC50 = 7 μM) .
CAS Number
212779-48-1
Product Name Alternative
Compound 52
Purity
>98% (HPLC)
Solubility
DMSO: > 100mM
Smiles
CC (C) N1C2=NC (NCCO) =NC (NC3=CC=CC (Cl) =C3) =C2N=C1
Molecular Formula
C16H19ClN6O
Molecular Weight
346.81
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2- ((6- ((3-chlorophenyl) amino) -9-isopropyl-9H-purin-2-yl) amino) ethan-1-ol

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
Loading 3D structure...
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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