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

CAS: 64-99-3 Cat. No.: E127768 분자식: C₉H₁₄N₄O₂ 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

• Pubchem Sid: 528764426
• 정식 스마일: 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)
• 이성체 SMILES: CCN1C=NC(=C1C(=O)NC)C(=O)NC
• 분자량: 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
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 2-heteroaryl carboxamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: 25°C: DMSO
• 분자량: 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

참고 문헌

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]