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

CAS: 684283-16-7 Cat. No.: P274654 Fórmula: C₂₁H₁₈N₂O₅ Peso molecular: 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

Visão geral

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

Specifications

Sinónimos

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

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

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)).

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ANTAGONIST

Nota

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.

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: 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
• Peso molecular: 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
• Descrição: 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

Alvos associados (humanos)

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

Alvos associados (não humanos)

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

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

Discover Target: Grin1

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

Grin1 Glutamate NMDA receptor; Grin1/Grin2a (798 Activities)

Discover Target: Grin1

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

Grin1 Glutamate NMDA receptor; Grin1/Grin2c (1127 Activities)

Discover Target: Grin1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in 2 eq. NaOH to 50 mM (with warming)
• Peso molecular: 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