Carbadox - 10mM in DMSO , CAS No.6804-07-5

CAS: 6804-07-5 Cat. No.: C425416 Peso molecular: 262.22 Número EC: 229-879-0

GRADE & PURITY 10mM in DMSO

Synonyms

CARBADOX|6804-07-5|Mecadox|MLS001333201|methyl N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate|SMR000857182|Hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-,methyl ester|(E)-2-((2-(methoxycarbonyl)hydrazono)methy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Carbadox has been used to suppress aldosterone production, to study the spread of shiga toxin-producing Escherichia coli (STEC) strains, and to compare different antimicrobial activities.

Specifications

Sinónimos

CARBADOX | 6804-07-5 | Mecadox | MLS001333201 | methyl N-[(E)-(1, 4-dioxidoquinoxaline-1, 4-diium-2-yl)methylideneamino]carbamate | SMR000857182 | Hydrazinecarboxylic acid, [(1, 4-dioxido-2-quinoxalinyl)methylene]-, methyl ester | (E)-2-((2-(methoxycarbonyl)hydrazono)methy

Especificaciones y pureza

10mM in DMSO

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.

Nombres e identificadores

• Sonrisas canónicas: COC(=O)NN=CC1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-]
• IUPAC Name: methyl N-[(E)-(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylideneamino]carbamate
• InChIKey: OVGGLBAWFMIPPY-WUXMJOGZSA-N
• INCHI: 1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6+
• Isómeros SMILES: COC(=O)N/N=C/C1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-]
• Número ONU: 1325
• Peso molecular: 262.22
• Reaxy-Rn: 893842
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=893842&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Pyrazinium compounds Pyrazines Benzenoids Heteroaromatic compounds Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Pyrazine - Pyrazinium - Benzenoid - Heteroaromatic compound - Carbonic acid derivative - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• External Descriptors: Not available

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)

ABCB11 Tchem Bile salt export pump (2311 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Streptococcus (3973 Activities)

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Brachyspira hyodysenteriae (140 Activities)

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Pasteurella multocida (1166 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus pyogenes (16140 Activities)

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Plasmodium falciparum (966862 Activities)

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Sus scrofa (849 Activities)

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Salmonella enterica (1497 Activities)

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Streptococcus sp. 'group A' (3417 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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ska Streptokinase A (5805 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 239-240°C
• Peso molecular: 262.220 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 262.07 Da
• Monoisotopic Mass: 262.07 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 352.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

1. Zhenyu Lu, Yanhui Zhong, Gongke Li, Yufei Hu.  (2022)  Rapid analysis of quinoxalines in feeds by a fluorescence sensor based on tetraphenylmethane porous organic framework membrane.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2021.131350]

2. Xibin Liao, Yihui Chen, Meikang Lei, Chunyan Hou, Xie Li, Tingting Wang.  (2021)  Hydrophilic-interaction-based magnetically assisted matrix solid-phase dispersion extraction of carbadox and olaquindox in feeds.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  102  (5): (2080-2089).  [PMID:34599509] [10.1002/jsfa.11549]