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NU2058

CAT: 0931-T3186-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T3186-02Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
161058-83-9
Target
Topoisomerase, CDK
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Purity
0.9995
Bioactivity
NU2058 (O (6) -Cyclohexylmethylguanine) is a guanine-based CDK inhibitor, also inhibits DNA topoisomerase II ATPase activity.
Smiles
Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1
Molecular Formula
C12H17N5O
Molecular Weight
247.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NU-2058

structure in first source

CAS Number161058-83-9
PubChem CID4564
IUPAC Name6-(cyclohexylmethoxy)-7H-purin-2-amine
Molecular FormulaC12H17N5O
Molecular Weight247.30
XLogP2.1
Topological Polar Surface Area89.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity271
SMILES
C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N
InChI
InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChIKey
MWGXGTJJAOZBNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NU-2058
CAS: 161058-83-9
CID: 4564
Formula: C12H17N5O
MW: 247.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.30
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass247.14331018
Monoisotopic Mass247.14331018
Topological Polar Surface Area89.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity271
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

Alternative Products

CatalogName
BUP13337-01NU2058
A15767-50NU2058 50mg
A15767-100NU2058 100mg
A15767-25NU2058 25mg
A15767-10NU2058 10mg
A15767-200NU2058 200mg
A15767-5NU2058 5mg
A15767-10mM-DNU2058 10mM * 1mL in DMSO

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