Diminazene Aceturate - 10mM in Water , CAS No.908-54-3

CAS: 908-54-3 Cat. No.: D580375 분자식: C₁₄H₁₅N₇.2C₄H₇NO₃ 분자량: 515.52 EC 번호: 212-999-2

GRADE & PURITY 10mM in Water

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 -80°C

Shipped In

Dry ice packs + Cold packs

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

10mM in Water

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 -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

• 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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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DNA (187 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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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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: ≥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

자주 묻는 질문

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 908-54-3, the molecular formula is C22H29N9O6, and the molecular weight is 515.52 g/mol. InChIKey OKQSSSVVBOUMNZ-UHFFFAOYSA-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.