CGS 19755 - Moligand™ , Antagonist of GluN2A;Antagonist of GluN2B;Antagonist of GluN2C;Antagonist of GluN2D, CAS No.110347-85-8, Antagonist of GluN2A;Antagonist of GluN2B;Antagonist of GluN2C;Antagonist of GluN2D

CAS: 110347-85-8 Cat. No.: C287470 Summenformel: C₇H₁₄NO₅P Molekulargewicht: 223.17

GRADE & PURITY Moligand™

Synonyms

AKOS015914119 | 2-Piperidinecarboxylic acid, 4-(phosphonomethyl)-, (2R,4S)- | 4VGJ4A41L2 | CAS-110347-85-8 | N0905W44Y3 | SCHEMBL120234 | 4-Phosphonomethyl-piperidine-2-carboxylic acid | CGS19755 | CGS-19755 | 4-Phosphonomethyl-piperidine-2-carboxylic aci

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS015914119 | 2-Piperidinecarboxylic acid, 4-(phosphonomethyl)-, (2R,4S)- | 4VGJ4A41L2 | CAS-110347-85-8 | N0905W44Y3 | SCHEMBL120234 | 4-Phosphonomethyl-piperidine-2-carboxylic acid | CGS19755 | CGS-19755 | 4-Phosphonomethyl-piperidine-2-carboxylic aci

Spezifikationen & Reinheit

Moligand™

Biochemische und physiologische Mechanismen

Potent, competitive NMDA receptor antagonist. Anticonvulsant and neuroprotective.

Storage

Room temperature

Verschickt in

Normal

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of GluN2A;Antagonist of GluN2B;Antagonist of GluN2C;Antagonist of GluN2D

Namen und Kennungen

• Kanonisches Lächeln: C1CNC(CC1CP(=O)(O)O)C(=O)O
• IUPAC Name: (2S,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid
• InChIKey: LPMRCCNDNGONCD-RITPCOANSA-N
• INCHI: 1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
• Isomere SMILES: C1CN[C@@H](C[C@@H]1CP(=O)(O)O)C(=O)O
• Molekulargewicht: 223.17
• Reaxy-Rn: 4253562
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4253562&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acids
              • Ebene8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Piperidinecarboxylic acids Organic phosphonic acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: L-alpha-amino acid - Piperidinecarboxylic acid - Piperidine - Organophosphonic acid - Organophosphonic acid derivative - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: non-proteinogenic alpha-amino acid

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

Zugehörige Ziele (menschlich)

GRIN2A Tclin Glutamate receptor ionotropic, NMDA 2A (0 Activities)

Discover Target: GRIN2A

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

GRIN2B Tclin Glutamate receptor ionotropic, NMDA 2B (0 Activities)

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

GRIN2C Tclin Glutamate receptor ionotropic, NMDA 2C (0 Activities)

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

GRIN2D Tclin Glutamate receptor ionotropic, NMDA 2D (0 Activities)

Discover Target: GRIN2D

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

GRIN2A Tclin Glutamate [NMDA] receptor subunit epsilon 1 (112 Activities)

Discover Target: GRIN2A

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

GRIK3 Tclin Glutamate receptor ionotropic kainate 3 (50 Activities)

Discover Target: GRIK3

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Huh-7 (12904 Activities)

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

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

Discover Target: APEX1

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GRIN1 Tclin Glutamate [NMDA] receptor (933 Activities)

Discover Target: GRIN1

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

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Plasmodium falciparum (966862 Activities)

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Mus musculus (284745 Activities)

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

Rattus norvegicus (775804 Activities)

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

Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 5.58, Max Conc. mM: 25
• Molekulargewicht: 223.160 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 223.061 Da
• Monoisotopic Mass: 223.061 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 263.000
• 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