GLYX 13 TFA - 10mM in DMSO , CAS No.117928-94-6

CAS: 117928-94-6 Cat. No.: G420792 Molecular Weight: 413.47

GRADE & PURITY 10mM in DMSO

Synonyms

GLYX13 | GLYX-13 | Rapastinelum | s6907 | RAPASTINEL [WHO-DD] | EX-A794 | AKOS024457610 | GSK-685968 | Rapastinel | Rapastinel(GLYX-13) | GIBQQARAXHVEGD-BSOLPCOYSA-N | Rapastinel [USAN:INN] | SCHEMBL1668190 | HY-16728 | Q5513673 | Thr-Pro-Pro-Thr-NH2 | CB

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

GLYX-13 trifluoroacetate has been used as an activator of NMDA (N-methyl-D-aspartate) receptor.

Specifications

Synonyms

GLYX13 | GLYX-13 | Rapastinelum | s6907 | RAPASTINEL [WHO-DD] | EX-A794 | AKOS024457610 | GSK-685968 | Rapastinel | Rapastinel(GLYX-13) | GIBQQARAXHVEGD-BSOLPCOYSA-N | Rapastinel [USAN:INN] | SCHEMBL1668190 | HY-16728 | Q5513673 | Thr-Pro-Pro-Thr-NH2 | CB

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

GLYX-13 is a glycine-site functional partial agonist (GFPA) selective modulator of the NMDA receptor (NMDAR). It is a brain penetrable tetrapeptide which acts as a positive allosteric modulator of the NMDA receptor, acting via the glycine site. GLYX-13 ha

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

MODULATOR

Product Properties

• ALogP: -2.8

Names and Identifiers

• Canonical Smiles: CC(C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)N)N)O
• IUPAC Name: (2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
• InChIKey: GIBQQARAXHVEGD-BSOLPCOYSA-N
• INCHI: 1S/C18H31N5O6/c1-9(24)13(19)18(29)23-8-4-6-12(23)17(28)22-7-3-5-11(22)16(27)21-14(10(2)25)15(20)26/h9-14,24-25H,3-8,19H2,1-2H3,(H2,20,26)(H,21,27)/t9-,10-,11+,12+,13+,14+/m1/s1
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H]([C@@H](C)O)C(=O)N)N)O
• Molecular Weight: 413.47
• Reaxy-Rn: 32289540
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32289540&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 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Pyrrolidinecarboxamides N-acylpyrrolidines Fatty amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Fatty amide - Fatty acyl - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Alcohol - Amine - Organooxygen compound - Primary amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 413.500 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 413.227 Da
• Monoisotopic Mass: 413.227 Da
• Topological Polar Surface Area: 179.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 659.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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