Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione - Moligand™, ≥95% , CAS No.19179-12-5

CAS: 19179-12-5 Cat. No.: D305286 Molecular Weight: 154.17 EC Number: 831-723-7

GRADE & PURITY Moligand™, ≥95%

Synonyms

Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro- | SCHEMBL3016264 | Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | MFCD01083707 | Cyclo(glycylprolyl) | MFCD00055967 | HMS3604O06 | Z1154665601 | Cyclo-Gly-Pro, >=98% (GC/HPLC) | CHEBI:181570 | SY016713 | Pyrrolidi

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Overview

Cyclo-(Pro-Gly) (Pyrrolopiperazine-2,5-dione), an alkaloid isolated from green algae Ulva prolifera, possesses antialgal activity against the common harmful red tide microalgae.

Specifications

Synonyms

Pyrrolo[1, 2-a]pyrazine-1, 4-dione, hexahydro- | SCHEMBL3016264 | Hexahydropyrrolo[1, 2-a]pyrazine-1, 4-dione | MFCD01083707 | Cyclo(glycylprolyl) | MFCD00055967 | HMS3604O06 | Z1154665601 | Cyclo-Gly-Pro, >=98% (GC/HPLC) | CHEBI:181570 | SY016713 | Pyrrolidi

Specifications & Purity

Moligand™, ≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Shipped In

Wet ice

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

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC2C(=O)NCC(=O)N2C1
• IUPAC Name: 2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
• InChIKey: OWOHLURDBZHNGG-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11)
• Isomeric SMILES: C1CC2C(=O)NCC(=O)N2C1
• Molecular Weight: 154.17
• Reaxy-Rn: 83413
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=83413&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 N-alkylpiperazines Tertiary carboxylic acid amides Pyrrolidines Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dioxopiperazine - 2,5-dioxopiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic 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)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 154.170 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.074 Da
• Monoisotopic Mass: 154.074 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 214.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1