NU 2058 - ≥98% , CAS No.161058-83-9

CAS: 161058-83-9 Cat. No.: N159684 Molecular Weight: 247.3 EC Number: 633-908-6

COA

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NU 2058 - ≥98% CAS No(161058-83-9) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

CCG-222242 | O(6)-cyclohexylmethylguanine | O-Cyclohexylmethylguanine | Tox21_500938 | SMR000568417 | 6-Cyclohexylmethoxy-9H-purin-2-ylamine | FT-0700226 | HMS2233F06 | SMP2_000088 | SDCCGSBI-0633770.P001 | HMS3262L18 | NSC707619 | NSC-707619 | 1e1v | 2-a

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Inhibitor of Cyclin-dependent kinase (cdk) 1 (K i = 5\xa0μM) and cdk2 inhibitor (K i =\xa012 μ M).\xa0 Inhibits growth of human tumor cells in vitro (GI 50 = 13 μ M). Inhibits DNA topoisomerase II ATPase activity (IC 50 = 300 μ M).

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

Pubchem Sid	488179840
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488179840
Canonical Smiles	C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N
IUPAC Name	6-(cyclohexylmethoxy)-7H-purin-2-amine
InChIKey	MWGXGTJJAOZBNW-UHFFFAOYSA-N
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)
Isomeric SMILES	C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N
WGK Germany	3
Molecular Weight	247.3
Reaxy-Rn	26432494
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26432494&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives
      - Level5 Purinones
        Level6 Hypoxanthines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Purinones
Direct Parent	Hypoxanthines
Alternative Parents	Aminopyrimidines and derivatives Alkyl aryl ethers Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Hypoxanthine - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Ether - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK3 Tchem MAP kinase ERK1 (4725 Activities)

Discover Target: MAPK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK1 Tchem Cyclin-dependent kinase 1 (3927 Activities)

Discover Target: CDK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MGMT Tchem 6-O-methylguanine-DNA methyltransferase (451 Activities)

Discover Target: MGMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK5 Tchem Cyclin-dependent kinase 5 (3021 Activities)

Discover Target: CDK5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CLK1 Tchem Dual specificty protein kinase CLK1 (2189 Activities)

Discover Target: CLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP3K5 Tchem Mitogen-activated protein kinase kinase kinase 5 (1965 Activities)

Discover Target: MAP3K5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
E2320548	Certificate of Analysis	Apr 10, 2023	N159684
E2320549	Certificate of Analysis	Apr 10, 2023	N159684
E2320550	Certificate of Analysis	Apr 10, 2023	N159684
E2320571	Certificate of Analysis	Apr 10, 2023	N159684
E2320574	Certificate of Analysis	Apr 10, 2023	N159684
E2320575	Certificate of Analysis	Apr 10, 2023	N159684
E2320577	Certificate of Analysis	Apr 10, 2023	N159684
E2320578	Certificate of Analysis	Apr 10, 2023	N159684
E2320580	Certificate of Analysis	Apr 10, 2023	N159684
E2320584	Certificate of Analysis	Apr 10, 2023	N159684
E2320589	Certificate of Analysis	Apr 10, 2023	N159684
E2320590	Certificate of Analysis	Apr 10, 2023	N159684
E2320591	Certificate of Analysis	Apr 10, 2023	N159684
E2320613	Certificate of Analysis	Apr 10, 2023	N159684

Sensitivity	Heat Sensitive
Melt Point(°C)	199°C(lit.)
Molecular Weight	247.300 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	247.143 Da
Monoisotopic Mass	247.143 Da
Topological Polar Surface Area	89.700 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	271.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

NU 2058 - ≥98% , CAS No.161058-83-9

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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