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

CAS: 64-99-3 Cat. No.: E127768 分子式: C₉H₁₄N₄O₂ 分子量: 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

概要

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

同義語

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

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

• パブケム・シド: 528764426
• カノニカル・スマイル: 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)
• 異性体SMILES: CCN1C=NC(=C1C(=O)NC)C(=O)NC
• 分子量: 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
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 2-heteroaryl carboxamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: 25°C: DMSO
• 分子量: 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

参考文献

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]