2,4,5-Tribromoimidazole - ≥98% , CAS No.2034-22-2

CAS: 2034-22-2 Cat. No.: T102766 Peso molecular: 304.77 Beilstein Registry Number: 23(5)4,465 Número EC: 217-997-5 PubChem CID: 16253

GRADE & PURITY ≥98%

Synonyms

Imidazole,4,5-tribromo- | AI3-62059 | SCHEMBL69879 | 1H-Imidazole,4,5-tribromo- | NSC 514965 | 2,5-Tribromoimidazole | CL2210 | AC-907/25014002 | DTXSID2022173 | 2,4,5-tribromo imidazole | 1H-Imidazole, 2,4,5-tribromo- | A4426 | AC-7522 | 2,4,5-Tribromo-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

2,4,5-Tribromoimidazole(2,4,5-TBI) on condensation with sugar precursors yields 2,4,5-TBI nucleosides.

Specifications

Sinónimos

Imidazole, 4, 5-tribromo- | AI3-62059 | SCHEMBL69879 | 1H-Imidazole, 4, 5-tribromo- | NSC 514965 | 2, 5-Tribromoimidazole | CL2210 | AC-907/25014002 | DTXSID2022173 | 2, 4, 5-tribromo imidazole | 1H-Imidazole, 2, 4, 5-tribromo- | A4426 | AC-7522 | 2, 4, 5-Tribromo-1

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

2, 4, 5-Tribromoimidazole induces poisoning typical of uncouplers of oxidative phosphorylation in rats.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752739
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752739
• Sonrisas canónicas: C1(=C(N=C(N1)Br)Br)Br
• IUPAC Name: 2,4,5-tribromo-1H-imidazole
• InChIKey: JCGGPCDDFXIVQB-UHFFFAOYSA-N
• INCHI: 1S/C3HBr3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)
• Isómeros SMILES: C1(=C(N=C(N1)Br)Br)Br
• WGK Alemania: 3
• RTECS: NI8660000
• PubChem CID: 16253
• Número ONU: 2811
• Peso molecular: 304.77
• Beilstein: 23(5)4,465
• Reaxy-Rn: 115314

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Trisubstituted imidazoles
            • Level7 2,4,5-trisubstituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles - Trisubstituted imidazoles
• Direct Parent: 2,4,5-trisubstituted imidazoles
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4,5-trisubstituted-imidazole - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 2, 4, and 5.
• 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)

HEK293 (82097 Activities)

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Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Human betaherpesvirus 5 (5122 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in alcohol, ether, chloroform, acetic acid. Insoluble in water.
• Sensibilidad: air & light sensitive
• Punto de fusión (°C): 217-220°C
• Peso molecular: 304.770 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 303.767 Da
• Monoisotopic Mass: 301.769 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 88.600
• 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. Shu-Qing Fu, Ming-Zhi Zhu, Boxin Xue, Pei-Nian Liu.  (2022)  Synergy between Ionic Capacity and Intrinsic Porosity in Imidazolium-Based Cationic Organic Polymers and Its Effect on Anionic Dye Adsorption.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.2c01127]