UBP 296 - ≥98% , CAS No.745055-86-1

CAS: 745055-86-1 Cat. No.: U288516 Formule: C₁₅H₁₅N₃O₆ Poids moléculaire: 333.30 PubChem CID: 11674376

GRADE & PURITY ≥98%

Synonyms

(RS)-1-(2-Amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

(RS)-1-(2-Amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Selective GluK1 (formally GluR5) subunit containing kainate receptor antagonist (apparent KD= 1.09μM). Displays ~ 90-fold selectivity over AMPA receptors and recombinant hGluK2 (formally hGluR6) and GluK5 (formally KA2) containing kainate receptors. Has l

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Sourires canoniques

C1=CC=C(C(=C1)CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)O

IUPAC Name

2-[[3-(2-amino-2-carboxyethyl)-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid

InChIKey

UUIYULWYHDSXHL-UHFFFAOYSA-N

INCHI

1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)

Isomères SMILES

C1=CC=C(C(=C1)CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)O

PubChem CID

11674376

Poids moléculaire

333.30

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
            • Level7 Alpha amino acids

• 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 - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Benzoic acids Benzoyl derivatives Pyrimidones Hydropyrimidines Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Ureas Amino acids Lactams Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Dicarboxylic acid or derivatives - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Amino acid - Urea - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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)

GRIA3 Tclin Glutamate receptor ionotropic, AMPA 3 (127 Activities)

Discover Target: GRIA3

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

GRIA1 Tclin Glutamate receptor ionotropic, AMPA 1 (277 Activities)

Discover Target: GRIA1

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

GRIA2 Tclin Glutamate receptor ionotropic, AMPA 2 (847 Activities)

Discover Target: GRIA2

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

GRIK3 Tclin Glutamate receptor ionotropic kainate 3 (50 Activities)

Discover Target: GRIK3

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

GRIK1 Tclin Glutamate receptor ionotropic kainate 1 (340 Activities)

Discover Target: GRIK1

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Gria4 Glutamate receptor ionotropic, AMPA 4 (112 Activities)

Discover Target: Gria4

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

Grik2 Glutamate receptor ionotropic kainate 2 (298 Activities)

Discover Target: Grik2

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:1eq. NaOH, Max Conc. mg/mL: 3.33, Max Conc. mM: 10 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 3.33, Max Conc. mM: 10
• Poids moléculaire: 333.300 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 333.096 Da
• Monoisotopic Mass: 333.096 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 576.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 745055-86-1, the molecular formula is C??H??N?O?, and the molecular weight is 333.30 g/mol. InChIKey UUIYULWYHDSXHL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.