Etimizol - Moligand™, ≥99% , CAS No.64-99-3

CAS: 64-99-3 Cat. No.: E127768 Fórmula: C₉H₁₄N₄O₂ Peso molecular: 210.23

GRADE & PURITY Moligand™, ≥99%

Synonyms

Ethymysol | CBDivE_002342 | Ethymisol | Antiffine | F84967 | 1-ethyl-N~4~,N~5~-dimethyl-1H-imidazole-4,5-dicarboxamide | SDCCGMLS-0064602.P001 | Q4532989 | 1-Ethyl-4-N,5-N-dimethyl-1H-imidazole-4,5-dicarboxamide | 5-25-05-00350 (Beilstein Handbook Referen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Etimizol(Ethymisole; Antiffine; Ethylnorantifein) was shown to relieve amnesia effectively in the origin of which there is the hypoxic component (hypobaric hypoxia, actinomycin D, mechanical injury of the brain). Etimizol can decrease the K-+ permeability of neurons' membrane during action potential.

Specifications

Sinónimos

Ethymysol | CBDivE_002342 | Ethymisol | Antiffine | F84967 | 1-ethyl-N~4~,N~5~-dimethyl-1H-imidazole-4,5-dicarboxamide | SDCCGMLS-0064602.P001 | Q4532989 | 1-Ethyl-4-N,5-N-dimethyl-1H-imidazole-4,5-dicarboxamide | 5-25-05-00350 (Beilstein Handbook Referen

Especificações e pureza

Moligand™, ≥99%

Mecanismos bioquímicos e fisiológicos

Description:
IC50 Value: N/A
Etimizol was shown to relieve amnesia effectively in the origin of which there is the hypoxic component (hypobaric hypoxia, actinomycin D, mechanical injury of the brain). Etimizol has a catalytic ef

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 528764426
• Sorrisos canónicos: CCN1C=NC(=C1C(=O)NC)C(=O)NC
• IUPAC Name: 1-ethyl-4-N,5-N-dimethylimidazole-4,5-dicarboxamide
• InChIKey: RYRFAMRQBZNEPX-UHFFFAOYSA-N
• INCHI: 1S/C9H14N4O2/c1-4-13-5-12-6(8(14)10-2)7(13)9(15)11-3/h5H,4H2,1-3H3,(H,10,14)(H,11,15)
• SMILES isoméricas: CCN1C=NC(=C1C(=O)NC)C(=O)NC
• Peso molecular: 210.23
• Reaxy-Rn: 525707
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=525707&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 2-heteroaryl carboxamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: 2-heteroaryl carboxamides
• Alternative Parents: Carbonylimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
• 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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 25°C: DMSO
• Peso molecular: 210.230 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 210.112 Da
• Monoisotopic Mass: 210.112 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 256.000
• 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

Referências

1. Nan Jiang, Xiaotong Du, Liangyu Zheng.  (2023)  Highly efficient synthesis of chiral lactams by using a ω-transaminase from Bacillus megaterium and its mutant enzymes.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2023.113364]