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NU6300

CAT: 0931-T16360Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16360Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2070015-09-5
Target
NOD, CDK
Related Pathways
Cell Cycle/Checkpoint, Immunology/Inflammation, NF-κB
Purity
0.9608
Bioactivity
NU6300 is an inhibitor of the first covalent ATP-competitive CDK2.
Smiles
C=CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
Molecular Formula
C20H23N5O3S
Molecular Weight
413.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine
CAS Number2070015-09-5
PubChem CID118704754
IUPAC Name6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine
Molecular FormulaC20H23N5O3S
Molecular Weight413.5
XLogP4.4
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity641
SMILES
C=CS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3
InChI
InChI=1S/C20H23N5O3S/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/h2,8-11,13-14H,1,3-7,12H2,(H2,21,22,23,24,25)
InChIKey
KGWSQGUVJUGIPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(cyclohexylmethoxy)-N-(4-ethenylsulfonylphenyl)-7H-purin-2-amine
CAS: 2070015-09-5
CID: 118704754
Formula: C20H23N5O3S
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass413.15216079
Monoisotopic Mass413.15216079
Topological Polar Surface Area118 Ų
Heavy Atom Count29
Formal Charge0
Complexity641
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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A21025-100NU6300 100mg
A21025-10NU6300 10mg
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A21025-5NU6300 5mg
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