Cyclo(-D-Ala-D-Ala) - ≥98% , CAS No.23927-13-1

CAS: 23927-13-1 Cat. No.: C348916 Molecular Weight: 142.16

GRADE & PURITY ≥98%

Synonyms

SCHEMBL13074412 | 2,5-Piperazinedione, 3,6-dimethyl-, (3R-cis)- | WMN9UY0GSE | DTXSID50350289 | Alanine anhydride, cis-(+)- | MFCD00236939 | Cyclo(-D-Ala-D-Ala) | Cyclo(D-Ala-D-Ala) | starbld0009559 | CARBAMOYL-DL-ASPARTICACID | AKOS006274201 | UNII-WMN9U

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL13074412 | 2, 5-Piperazinedione, 3, 6-dimethyl-, (3R-cis)- | WMN9UY0GSE | DTXSID50350289 | Alanine anhydride, cis-(+)- | MFCD00236939 | Cyclo(-D-Ala-D-Ala) | Cyclo(D-Ala-D-Ala) | starbld0009559 | CARBAMOYL-DL-ASPARTICACID | AKOS006274201 | UNII-WMN9U

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759833
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759833
• Canonical Smiles: CC1C(=O)NC(C(=O)N1)C
• IUPAC Name: (3R,6R)-3,6-dimethylpiperazine-2,5-dione
• InChIKey: WWISPHBAYBECQZ-QWWZWVQMSA-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-/m1/s1
• Isomeric SMILES: C[C@@H]1C(=O)N[C@@H](C(=O)N1)C
• Molecular Weight: 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
    • Class 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
• Class: 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

Associated Targets(non-human)

Porphyromonas gingivalis (651 Activities)

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

Fusobacterium nucleatum (386 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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