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NU2058 [CAS 161058-83-9]

NU2058 [CAS 161058-83-9]

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QM-0155256-01

£41.05 GBP
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Product Details

  • Description

    NU2058 (O6- (Cyclohexylmethyl) guanine) is a potent, competitive and guanine-based CDK inhibitor with IC50s of 17 μM and 26 μM for CDK2 and CDK1. NU2058 has anti-cancer activity.

  • CAS Number

    [161058-83-9]

  • Molecular Formula

    C12H17N5O

  • Molecular Weight

    247.3

  • Smiles

    NC1=NC(OCC2CCCCC2)=C3NC=NC3=N1

  • Target

    CDK

  • Isoform

    CDK1; CDK2

  • Purity

    99.66

  • Solubility

    DMSO : ≥ 32 mg/mL

  • Storage Conditions

    -20°C, 3 years; 4°C, 2 years (Powder)

  • Shipping Conditions

    Room Temperature

  • Hazard Statement

    H302, H315, H319, H335

  • Precautions

    H302, H315, H319, H335
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Variant Variant total Quantity Price Variant total
5 mgQM-0155256-01
5 mgQM-0155256-01
£27.00
£41.05/ea
 £0.00
£27.00
£41.05/ea
 £0.00
10 mgQM-0155256-02
10 mgQM-0155256-02
£40.50
£56.58/ea
 £0.00
£40.50
£56.58/ea
 £0.00
25 mgQM-0155256-03
25 mgQM-0155256-03
£81.90
£127.38/ea
 £0.00
£81.90
£127.38/ea
 £0.00
50 mgQM-0155256-04
50 mgQM-0155256-04
£123.30
£216.46/ea
 £0.00
£123.30
£216.46/ea
 £0.00
100 mgQM-0155256-05
100 mgQM-0155256-05
£186.30
£301.50/ea
 £0.00
£186.30
£301.50/ea
 £0.00
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NU2058 [CAS 161058-83-9]

Quantimol Compound Profile

NU-2058

O6-Cyclohexylmethylguanine | 6-(cyclohexylmethoxy)-7H-purin-2-amine
Purine-based small molecule presented with standardized identifiers, physicochemical parameters, external database cross-references, and selected safety and spectral information for research cataloging and analytical documentation.

Structure

NU-2058 chemical structure
Public structure image based on PubChem CID 4564

Product Overview

NU-2058 is listed in the uploaded record with multiple recognized identifiers including CAS, EC number, UNII, ChEMBL, DrugBank, NSC, and PubChem cross-references. The record also provides a standardized IUPAC name, structure descriptors, computed physicochemical properties, a spectral thumbnail reference, and a GHS hazard summary.
This page format is suitable for compound identification, internal catalog consistency, technical documentation, and product presentation where customers need fast access to core molecular and reference data.

Key Chemical Identifiers

CAS Number
161058-83-9
Molecular Formula
C12H17N5O
Molecular Weight
247.30 g/mol
PubChem CID
4564

Names & Synonyms

Preferred Name
NU-2058
IUPAC Name
6-(cyclohexylmethoxy)-7H-purin-2-amine
Common Synonyms
NU 2058
O(6)-cyclohexylmethylguanine
O6-Cyclohexylmethylguanine
2-amino-6-[(cyclohexylmethyl)oxy]purine
6-(cyclohexylmethoxy)-9H-purin-2-amine

Structure Descriptors

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
Reference IDs
ChEMBL: CHEMBL269881
DrugBank: DB02407
UNII: 884MN6AR44

Computed Physicochemical Properties

Property Value
Molecular Weight 247.30 g/mol
Exact Mass 247.14331018 Da
Monoisotopic Mass 247.14331018 Da
XLogP3 2.1
Topological Polar Surface Area 89.7 Ų
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Heavy Atom Count 18
Formal Charge 0
Complexity 271
Compound Canonicalized Yes

Safety Summary

Signal word: Warning
Hazard statements:
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Refer to the full SDS and institutional handling procedures before use.

Catalog & Documentation Value

The uploaded record includes standardized names, external database identifiers, hazard summary information, spectral reference availability, and PubChem-linked related records. This supports clear compound identity presentation across technical product pages and internal catalog systems.

Research Reference Connectivity

The record includes cross-references to ChEMBL, DrugBank, Open Targets, PubMed-linked literature, and related compound search views, making it useful for discovery support, compound traceability, and reference verification workflows.