Spaglumic Acid - Moligand™, ≥98% , Agonist of mGlu 3 receptor, CAS No.3106-85-2, Agonist of mGlu 3 receptor

CAS: 3106-85-2 Cat. No.: S303409 Formule: C₁₁H₁₆N₂O₈ Poids moléculaire: 304.25 Numéro CE: 635-744-0 PubChem CID: 188803

GRADE & PURITY Moligand™, ≥98%

Synonyms

AB00053333_02 | Acetyl-alpha-L-aspartylglutamic acid | SPBio_001502 | N-Acetyl-a-L-aspartyl-L-glutamic acid | Acido isospaglumico [Spanish] | Spectrum5_001840 | BDBM17658 | N-acetylaspartylglutamate (NAAG) | Acide isospaglumique [French] | NCGC00024569-02

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

AB00053333_02 | Acetyl-alpha-L-aspartylglutamic acid | SPBio_001502 | N-Acetyl-a-L-aspartyl-L-glutamic acid | Acido isospaglumico [Spanish] | Spectrum5_001840 | BDBM17658 | N-acetylaspartylglutamate (NAAG) | Acide isospaglumique [French] | NCGC00024569-02

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

N-Acetyl-Asp-Glu (NAAG) is an abundant neuropeptide and neurotransmitter found in the mammalian brain. NAAG acts as an agonist for metabotropic glutamate receptors, mGluR3. In addition, it also acts as an antagonist for the N-methyl d-aspartate (NMDA) rec

Application

N-Acetyl-Asp-Glu has been used in N-acetylated α-linked acidic dipeptidase (NAALADase) assay and affinity experiments.. It has also been used as a metabolite standard in liquid chromatography-mass spectrometry (LC-MS) targeted metabolomics analysis and ma

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of mGlu 3 receptor

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528771725

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771725

Sourires canoniques

CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O

IUPAC Name

(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]pentanedioic acid

InChIKey

OPVPGKGADVGKTG-BQBZGAKWSA-N

INCHI

1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1

Isomères SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

PubChem CID

188803

Poids moléculaire

304.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Glutamic acid and derivatives Aspartic acid and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Tricarboxylic acids and derivatives N-acyl amines Acetamides Secondary carboxylic acid amides Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Glutamic acid or derivatives - Aspartic acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: dipeptide

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)

GRM3 Tchem Metabotropic glutamate receptor 3 (1 Activities)

Discover Target: GRM3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FOLH1 Tclin Glutamate carboxypeptidase II (711 Activities)

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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

POLK Tbio DNA polymerase kappa (8653 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

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Slc15a2 Oligopeptide transporter, kidney isoform (114 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: 30.43, Max Conc. mM: 100
• Sensibilité: Hygroscopic
• Poids moléculaire: 304.250 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 304.091 Da
• Monoisotopic Mass: 304.091 Da
• Topological Polar Surface Area: 170.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 448.000
• 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