Cyclo(-Ala-Gln) - ≥98% , CAS No.268221-76-7

CAS: 268221-76-7 Cat. No.: C348344 Peso molecular: 199.21

GRADE & PURITY ≥98%

Synonyms

3-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]propanamide | DTXSID80429391 | MFCD05663453 | AKOS006293956 | CYCLO(-ALA-GLN) | 3-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)propanamide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

application：

Cyclo(-Ala-Gln) is a cyclic dipeptide with anti-biofilm and anti-adherence properties against oral pathogens.

Specifications

Sinónimos

3-[(2S, 5S)-5-methyl-3, 6-dioxopiperazin-2-yl]propanamide | DTXSID80429391 | MFCD05663453 | AKOS006293956 | CYCLO(-ALA-GLN) | 3-((2S, 5S)-5-methyl-3, 6-dioxopiperazin-2-yl)propanamide

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764791
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764791
• Sonrisas canónicas: CC1C(=O)NC(C(=O)N1)CCC(=O)N
• IUPAC Name: 3-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]propanamide
• InChIKey: PNSKRAHOHQWAAN-WHFBIAKZSA-N
• INCHI: 1S/C8H13N3O3/c1-4-7(13)11-5(8(14)10-4)2-3-6(9)12/h4-5H,2-3H2,1H3,(H2,9,12)(H,10,14)(H,11,13)/t4-,5-/m0/s1
• Isómeros SMILES: C[C@H]1C(=O)N[C@H](C(=O)N1)CCC(=O)N
• Peso molecular: 199.21
• Reaxy-Rn: 30853965
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30853965&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: 2,5-dioxopiperazines Fatty amides Secondary carboxylic acid amides Primary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dioxopiperazine - 2,5-dioxopiperazine - 1,4-diazinane - Fatty amide - Piperazine - Fatty acyl - Secondary carboxylic acid amide - Primary carboxylic acid amide - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Objetivos asociados (no humanos)

Porphyromonas gingivalis (651 Activities)

Explore this target

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

Fusobacterium nucleatum (386 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 199.210 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.096 Da
• Monoisotopic Mass: 199.096 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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