cis-PPDA - Moligand™, ≥98% , CAS No.684283-16-7

CAS: 684283-16-7 Cat. No.: P274654 Formule: C₂₁H₁₈N₂O₅ Poids moléculaire: 378.38 PubChem CID: 20811874

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2R*,3S*)-1-(Phenanthrenyl-2-carbonyl)piperazine-2,3-dicarboxylicacid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

PPDA is a subtype-selective NMDA receptor antagonist that preferentially binds to NR2C/NR2D containing receptors.

Specifications

Synonymes

(2R*,3S*)-1-(Phenanthrenyl-2-carbonyl)piperazine-2,3-dicarboxylicacid

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Potent GluN2C/GluN2D (formerly NR2C / NR2D)-preferring NMDA receptor antagonist. (K i values for recombinant rat receptors are 0.096 (NR2C), 0.125 (NR2D), 0.55 (NR2A) and 0.31 μM (NR2B)).

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

ANTAGONIST

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1CN(C(C(N1)C(=O)O)C(=O)O)C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3
• IUPAC Name: (2S,3R)-1-(phenanthrene-2-carbonyl)piperazine-2,3-dicarboxylic acid
• InChIKey: IWWXIZOMXGOTPP-MSOLQXFVSA-N
• INCHI: 1S/C21H18N2O5/c24-19(23-10-9-22-17(20(25)26)18(23)21(27)28)14-7-8-16-13(11-14)6-5-12-3-1-2-4-15(12)16/h1-8,11,17-18,22H,9-10H2,(H,25,26)(H,27,28)/t17-,18+/m1/s1
• Isomères SMILES: C1CN([C@@H]([C@@H](N1)C(=O)O)C(=O)O)C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3
• PubChem CID: 20811874
• Poids moléculaire: 378.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenecarboxamides D-alpha-amino acids Piperazine carboxylic acids Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenanthrene - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Naphthalene - Piperazine-2-carboxylic acid - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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)

GRIK1 Tclin Glutamate receptor ionotropic kainate 1 (340 Activities)

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Cibles associées (non humaines)

Grik2 Glutamate receptor ionotropic kainate 2 (298 Activities)

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Grin1 Glutamate NMDA receptor; Grin1/Grin2b (1028 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in 2 eq. NaOH to 50 mM (with warming)
• Poids moléculaire: 378.400 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 378.122 Da
• Monoisotopic Mass: 378.122 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 638.000
• 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