1-Ethyl-1-nitrosourea（ENU） , CAS No.759-73-9

CAS: 759-73-9 Cat. No.: N136865 Peso molecular: 117.11 Número EC: 212-072-2

Synonyms

DTXCID20593 | ENU | SCHEMBL77485 | Urea, N-ethyl-N-nitroso- | N-Ethyl-N-nitrosourea | N-Ethyl-N-nitroso-urea | Ethyl nitrosourea | ETHYL-1-NITROSOUREA, 1- | NSC 45403 | UNII-P8M1T4190R | 1-Ethyl-1-nitrosomocovina | BRN 1761174 | EN300-206286 | NE-Urea | N

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

N-Nitroso-N-ethylurea is a precursor of Diazoethane with alkylating, carcinogenic, and mutagenic properties.
A precursor of Diazoethane

Specifications

Sinónimos

DTXCID20593 | ENU | SCHEMBL77485 | Urea, N-ethyl-N-nitroso- | N-Ethyl-N-nitrosourea | N-Ethyl-N-nitroso-urea | Ethyl nitrosourea | ETHYL-1-NITROSOUREA, 1- | NSC 45403 | UNII-P8M1T4190R | 1-Ethyl-1-nitrosomocovina | BRN 1761174 | EN300-206286 | NE-Urea | N

Mecanismos bioquímicos y fisiológicos

DNA alkylating agent that is carcinogenic in many animal species. Induces benign and malignant tumors of numerous types, including the nervous tissue, stomach, esophagus, pancreas, respiratory tract, intestine, lymphoreticular tissues, skin, and kidney.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

• Pubchem Sid: 488181758
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181758
• Sonrisas canónicas: CCN(C(=O)N)N=O
• IUPAC Name: 1-ethyl-1-nitrosourea
• InChIKey: FUSGACRLAFQQRL-UHFFFAOYSA-N
• INCHI: 1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
• Isómeros SMILES: CCN(C(=O)N)N=O
• WGK Alemania: 3
• RTECS: YT3150000
• Número ONU: 2811
• Grupo de embalaje: I
• Peso molecular: 117.11
• Reaxy-Rn: 1761174
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761174&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrosoureas
• Alternative Parents: Semicarbazides Nitrosamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrosourea - 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
• Descripción: This compound belongs to the class of organic compounds known as nitrosoureas. These are compounds containing a nitro group and an urea group N-N linked together, with the general structure R1N(R2)C(=O)N(R3)N=O.
• 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

Objetivos asociados (humanos)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

Objetivos asociados (no humanos)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO - 50 mg in 0.5 ml DMSO gives a clear yellow solution and with a few small insoluble particles
• Peso molecular: 117.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 117.054 Da
• Monoisotopic Mass: 117.054 Da
• Topological Polar Surface Area: 75.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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

Referencias

1. Min Wu, Mengmeng Jin, Xiaohui Cao, Kun Qian, Lei Zhao.  (2021)  RNA editing enzyme adenosine deaminases acting on RNA 1 deficiency increases the sensitivity of non-small cell lung cancer cells to anlotinib by regulating CX3CR1-fractalkine expression.  DRUG DEVELOPMENT RESEARCH,  83  (2): (328-338).  [PMID:34319598] [10.1002/ddr.21861]