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NU6310

CAT: 0013-GTR19209472-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209472-02Size:50 mg
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Description
NU6310 is a selective small molecule inhibitor of DCK2, a key enzyme in nucleotide metabolism. It is a valuable research tool for investigating nucleotide salvage pathways in cancer biology and immunology, with applications in both in vitro and in vivo experimental models.
CAS Number
1453215-59-2
Smiles
O (CC1CCCCC1) C2=C3C (=NC (NC4=CC=C (S (CC) (=O) =O) C=C4) =N2) N=CN3
Molecular Formula
C20H25N5O3S
Molecular Weight
415.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(Cyclohexylmethoxy)-N-[4-(Ethylsulfonyl)phenyl]-9h-Purin-2-Amine
CAS Number1453215-59-2
PubChem CID86280666
IUPAC Name6-(cyclohexylmethoxy)-N-(4-ethylsulfonylphenyl)-7H-purin-2-amine
Molecular FormulaC20H25N5O3S
Molecular Weight415.5
XLogP4.3
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity614
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3
InChI
InChI=1S/C20H25N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3,(H2,21,22,23,24,25)
InChIKey
SIKZOJIFMBUYSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(Cyclohexylmethoxy)-N-[4-(Ethylsulfonyl)phenyl]-9h-Purin-2-Amine
CAS: 1453215-59-2
CID: 86280666
Formula: C20H25N5O3S
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass415.16781085
Monoisotopic Mass415.16781085
Topological Polar Surface Area118 Ų
Heavy Atom Count29
Formal Charge0
Complexity614
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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