2-Nitroimidazole - ≥98% , CAS No.527-73-1

CAS: 527-73-1 Cat. No.: N119956 Formule: C₃H₃N₃O₂ Poids moléculaire: 113.07 Beilstein Registry Number: 116444 Numéro CE: 208-425-5

GRADE & PURITY ≥98%

Synonyms

s2267 | azomycin-(2-nitroimidazole) | SCHEMBL17145914 | EINECS 208-425-5 | Ro 05-9129 | SCHEMBL4794199 | HY-N0195 | NSC 105831 | FT-0601241 | Azomycin (2-Nitroimidazole) | 2 -nitroimidazole | Nitroimidazoles | Q27135639 | UNII-K8E96XL55D | 2-NITRO-1H-IMID

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

2-Nitroimidazole is a natural antibiotic.
Used to prepare nitroimidazole substituted boronic acids as precursors for imaging hypoxic tissue. Also used to prepare potential site-selective radiosensitizers for estrogen receptor-rich tumors.

Specifications

Synonymes

s2267 | azomycin-(2-nitroimidazole) | SCHEMBL17145914 | EINECS 208-425-5 | Ro 05-9129 | SCHEMBL4794199 | HY-N0195 | NSC 105831 | FT-0601241 | Azomycin (2-Nitroimidazole) | 2 -nitroimidazole | Nitroimidazoles | Q27135639 | UNII-K8E96XL55D | 2-NITRO-1H-IMID

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Macrolide antibiotic agent. Hypoxia labeling agent. Selectively accumulates in hypoxic cells. Inhibits bacterial protein synthesis. Shows bactericidal effects against Gram-positive, Gram-negative bacteria and anaerobic bacteria in vivo.

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Type d'action

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504751989
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751989
• Sourires canoniques: C1=CN=C(N1)[N+](=O)[O-]
• IUPAC Name: 2-nitro-1H-imidazole
• InChIKey: YZEUHQHUFTYLPH-UHFFFAOYSA-N
• INCHI: 1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
• Isomères SMILES: C1=CN=C(N1)[N+](=O)[O-]
• WGK Allemagne: 3
• RTECS: NI7875000
• Numéro ONU: 2811
• Groupe d'emballage: III
• Poids moléculaire: 113.07
• Beilstein: 116444
• Reaxy-Rn: 116444
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116444&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Azole - Imidazole - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• External Descriptors: C-nitro compound - imidazoles

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

Cibles associées (humaines)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: NH4OH: soluble 50 mg/mL, clear, yellow to orange
• Point de fusion (°C): 287°C
• Poids moléculaire: 113.080 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 113.023 Da
• Monoisotopic Mass: 113.023 Da
• Topological Polar Surface Area: 74.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 99.200
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 527-73-1, the molecular formula is C3H3N3O2, and the molecular weight is 113.07 g/mol. InChIKey YZEUHQHUFTYLPH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.