NU 2058 - 10mM in DMSO , CAS No.161058-83-9

CAS: 161058-83-9 Cat. No.: N421939 Peso molecular: 247.3 Número EC: 633-908-6

COA

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NU 2058 - 10mM in DMSO CAS No(161058-83-9) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

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Literature proof

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

Specifications

Sinónimos

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

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).

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nombres e identificadores

Sonrisas canónicas	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)
Isómeros SMILES	C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N
WGK Alemania	3
Peso molecular	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
  - Clase Imidazopyrimidines
    - Subclass Purines and purine derivatives
      - Level5 Purinones
        Level6 Hypoxanthines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	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
Descripción	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

Estructura 3D

Objetivos asociados (humanos)

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)

Sensibilidad	Heat Sensitive
Punto de fusión (°C)	199°C(lit.)
Peso molecular	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