MeIQx-d3 - ≥99% , CAS No.122457-31-2

CAS: 122457-31-2 Cat. No.: M649684 Summenformel: C₁₁H₈D₃N₅ Molekulargewicht: 216.26

GRADE & PURITY ≥99%

Synonyms

3H-Imidazo[4,5-f]quinoxalin-2-amine, 8-methyl-3-(methyl-d3)- (9CI) | MeIQx-d3 | 8-Methyl-3-(methyl-d3)-3H-Imidazo[4,5-f]quinoxalin-2-amine | 2-amino-8-methyl-3-(trideuteromethyl)-3h-imidazo[4,5-f]quinoxaline | J-004806 | 2-Amino-3,8-dimethylimidazo[4,5-f]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

MeIQx-d3 is the deuterium labeled MeIQx . MeIQx is a heterocyclic amine (HAs) compound and a dietary aromatic amine, which can bind covalently to hemoglobin. MeIQx is a mutagenic compound that induces liver tumors .

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MeIQx (0.47 mM; 0-120 min) binds covalently to mouse hemoglobin and is activated by mouse microsomes to metabolites. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

MeIQx (2.0-200 mg/kg; i.p.; male Swiss Webster mice) is in the covalent binding to hemoglobin in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyme

3H-Imidazo[4,5-f]quinoxalin-2-amine, 8-methyl-3-(methyl-d3)- (9CI) | MeIQx-d3 | 8-Methyl-3-(methyl-d3)-3H-Imidazo[4,5-f]quinoxalin-2-amine | 2-amino-8-methyl-3-(trideuteromethyl)-3h-imidazo[4,5-f]quinoxaline | J-004806 | 2-Amino-3,8-dimethylimidazo[4,5-f]

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

MeIQx-d3 is the deuterium labeled MeIQx ( HY-W355129 ). MeIQx is a heterocyclic amine (HAs) compound and a dietary aromatic amine, which can bind covalently to hemoglobin. MeIQx is a mutagenic compound that induces liver tumors.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CC1=CN=C2C=CC3=C(C2=N1)N=C(N3C)N
• IUPAC Name: 8-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoxalin-2-amine
• InChIKey: DVCCCQNKIYNAKB-BMSJAHLVSA-N
• INCHI: 1S/C11H11N5/c1-6-5-13-7-3-4-8-10(9(7)14-6)15-11(12)16(8)2/h3-5H,1-2H3,(H2,12,15)/i2D3
• Isomere SMILES: [2H]C([2H])([2H])N1C2=C(C3=NC(=CN=C3C=C2)C)N=C1N
• Molekulargewicht: 216.26
• Reaxy-Rn: 4188271
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4188271&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: Benzimidazoles Pyrazines N-substituted imidazoles Benzenoids Aminoimidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzimidazole - Aminoimidazole - Benzenoid - Pyrazine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 216.260 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 216.12 Da
• Monoisotopic Mass: 216.12 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 271.000
• Isotope Atom Count: 3
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 122457-31-2, the molecular formula is C11H8D3N5, and the molecular weight is 216.26 g/mol. InChIKey DVCCCQNKIYNAKB-BMSJAHLVSA-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.