MeIQx-d3 - ≥99% , CAS No.122457-31-2

CAS: 122457-31-2 Cat. No.: M649684 분자식: C₁₁H₈D₃N₅ 분자량: 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

개요

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

동의어

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]

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

정식 스마일

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

이성체 SMILES

[2H]C([2H])([2H])N1C2=C(C3=NC(=CN=C3C=C2)C)N=C1N

분자량

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
    • 분류 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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

자주 묻는 질문

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.