N-Nitroso-N-methylurea - Moligand™, 10mM in DMSO , CAS No.684-93-5

CAS: 684-93-5 Cat. No.: N425449 Fórmula: C₂H₅N₃O₂ Peso molecular: 103.08 Número CE: 211-678-4

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Z104475776 | n-methyl-n-nitroso urea | N-Methyl-N-nitrosoharnstoff | N-Methyl-N-nitroso-harnstoff | NSC 23909 | SCHEMBL38377 | CAS-684-93-5 | Methylnitrosourea | Methylnitrosoharnstoff | Methylnitroso-harnstoff | CHEBI:50102 | N-Nitroso-N-methylharnstoff

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Z104475776 | n-methyl-n-nitroso urea | N-Methyl-N-nitrosoharnstoff | N-Methyl-N-nitroso-harnstoff | NSC 23909 | SCHEMBL38377 | CAS-684-93-5 | Methylnitrosourea | Methylnitrosoharnstoff | Methylnitroso-harnstoff | CHEBI:50102 | N-Nitroso-N-methylharnstoff

Especificações e pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos e fisiológicos

DNA alkylating agent that is carcinogenic in many animal species. Although it can induce benign and malignant tumors in most organs, MNU is most often used to model mammary tumor initiation and progression.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Nomes e identificadores

Pubchem Sid

528766135

Sorrisos canónicos

CN(C(=O)N)N=O

IUPAC Name

1-methyl-1-nitrosourea

InChIKey

ZRKWMRDKSOPRRS-UHFFFAOYSA-N

INCHI

1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)

SMILES isoméricas

CN(C(=O)N)N=O

WGK Alemanha

1

Número UN

2811

Grupo de embalagem

I

Peso molecular

103.08

Reaxy-Rn

1756040

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic carbonic acids and derivatives
      • Subclass Ureas
        • Level5 Nitrosoureas
          • Level6 N-methylnitrosoureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Nitrosoureas
• Direct Parent: N-methylnitrosoureas
• Alternative Parents: Semicarbazides Nitrosamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-methylnitrosourea - Nitrosamide - Semicarbazide - Organic n-nitroso compound - Organic nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-methylnitrosoureas. These are organonitrogen compounds with the general formula H3CN(N=O)R(N)=O (R = any atom).
• External Descriptors: N-nitrosoureas

Data sources

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

Alvos associados (não humanos)

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light & Heat sensitive
• Peso molecular: 103.080 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 103.038 Da
• Monoisotopic Mass: 103.038 Da
• Topological Polar Surface Area: 75.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 90.900
• 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