Cyclo(-Ala-Ala) - ≥98% , CAS No.5845-61-4

CAS: 5845-61-4 Cat. No.: C349640 Formule: C₆H₁₀N₂O₂ Poids moléculaire: 142.16

GRADE & PURITY ≥98%

Synonyms

CCG-19056 | Cyclo(alanylalanyl) | Cyclo(L-Ala-L-Ala) | 2,5-Piperazinedione, 3,6-dimethyl-, (3R,6R)-rel- | O,O-Diaethyl-O-(2,5-dichlor-4-bromphenyl)-thionophosphat [German] | L-cis-3,6-Dimethyl-2,5-piperazinedione | NXP0G10PQ5 | Ala-Ala diketopiperazin | A

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

CCG-19056 | Cyclo(alanylalanyl) | Cyclo(L-Ala-L-Ala) | 2,5-Piperazinedione, 3,6-dimethyl-, (3R,6R)-rel- | O,O-Diaethyl-O-(2,5-dichlor-4-bromphenyl)-thionophosphat [German] | L-cis-3,6-Dimethyl-2,5-piperazinedione | NXP0G10PQ5 | Ala-Ala diketopiperazin | A

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504757571
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757571
• Sourires canoniques: CC1C(=O)NC(C(=O)N1)C
• IUPAC Name: (3S,6S)-3,6-dimethylpiperazine-2,5-dione
• InChIKey: WWISPHBAYBECQZ-IMJSIDKUSA-N
• INCHI: 1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)/t3-,4-/m0/s1
• Isomères SMILES: C[C@H]1C(=O)N[C@H](C(=O)N1)C
• Poids moléculaire: 142.16
• Reaxy-Rn: 82120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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 Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen 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 - Piperazine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Description: 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

Cibles associées (humaines)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 142.160 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.074 Da
• Monoisotopic Mass: 142.074 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 159.000
• 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