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

CAS: 6804-07-5 Cat. No.: C425416 分子式: C₁₁H₁₀N₄O₄ 分子量: 262.22 EC番号: 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

概要

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

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528770331
• カノニカル・スマイル: 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+
• 異性体SMILES: COC(=O)N/N=C/C1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-]
• UN番号: 1325
• 分子量: 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
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

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

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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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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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)

Discover Target: ska

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 239-240°C
• 分子量: 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

参考文献

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]