Diminazene Aceturate(DIZE) - ≥99% , CAS No.908-54-3

CAS: 908-54-3 Cat. No.: D129481 분자식: C₁₄H₁₅N₇.2C₄H₇NO₃ 분자량: 515.52 EC 번호: 212-999-2

GRADE & PURITY ≥99%

Synonyms

4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide bis(acetylglycinate) | 1,3-Bis(p-amidinophenyl)triazene bis(N-acetylglycinate) | Diminazene diaceturate | SW219273-1 | CHEBI:82615 | diminazene bis(N-acetylglycinate) | Q27156132 | (E)-4,4'-(triaz-1-ene-1,3-diyl)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Application:
forensics and toxicology；pharmaceutical (small molecule)；veterinary.

Diminazene is a di-amidine also known as 4,4-(1-Triazene–1,3–diyl)bis(benzenecarboximidamide), used as an effective trypanocidal agent.
An anti-protozoal and anti-trypanosomal compound.

Specifications

동의어

4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide bis(acetylglycinate) | 1,3-Bis(p-amidinophenyl)triazene bis(N-acetylglycinate) | Diminazene diaceturate | SW219273-1 | CHEBI:82615 | diminazene bis(N-acetylglycinate) | Q27156132 | (E)-4,4'-(triaz-1-ene-1,3-diyl)

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Diminazene aceturate is an anti-trypanosome agent for livestock. The main biochemical mechanism of the trypanocidal actions of Diminazene aceturate is by binding to trypanosomal kinetoplast DNA (kDNA) in a non-intercalative manner through specific interac

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

• Pubchem Sid: 528769578
• 정식 스마일: CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N
• IUPAC Name: 2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide
• InChIKey: OKQSSSVVBOUMNZ-UHFFFAOYSA-N
• INCHI: 1S/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)
• 이성체 SMILES: CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N
• 대체 CAS: 536-71-0
• 분자량: 515.52
• Reaxy-Rn: 3841323
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3841323&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Phenylhydrazines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Carboximidamides Carboxamidines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: N-acyl-alpha-amino acid - Phenylhydrazine - Monocyclic benzene moiety - Benzenoid - Amidine - Carboxylic acid amidine - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: N-acetylglycinate salt

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(인간)

HEK293 (82097 Activities)

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DNA (187 Activities)

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관련 대상(비인간)

Trypanosoma brucei (78846 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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작용 메커니즘

화학 및 물리적 특성

• 용해성: ≥24.35 mg/mL in DMSO; insoluble in EtOH; ≥53.7 mg/mL in H2O
• 감도: sensitive to humidity
• 분자량: 515.500 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 515.224 Da
• Monoisotopic Mass: 515.224 Da
• Topological Polar Surface Area: 269.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 500.000
• 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: 3

XLogP3