Phaclofen - Moligand™, ≥98% , Antagonist of GABA B receptor, CAS No.114012-12-3, Antagonist of GABA B receptor

CAS: 114012-12-3 Cat. No.: P349383 Summenformel: C₉H¹³ClNO₃P Molekulargewicht: 249.63 EG-Nummer: 634-548-2 PubChem CID: 1641

GRADE & PURITY Moligand™, ≥98%

Synonyms

NCGC00261652-01 | P-[3-Amino-2-(4-chlorophenyl)propyl]-Phosphonic acid | NCGC00015781-04 | VSGNGLJPOGUDON-UHFFFAOYSA-N | SR-01000075640-3 | Phaclofen, solid | (+/-)-3-Amino-2-(4-chlorophenyl)-propylphosphomic acid | Lopac0_000967 | NCGC00015781-06 | Q7179

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Phaclofen is a selective antagonist of the GABA|B|receptor. Phaclofen is a phosphonic acid derivative of the GABA|B|agonist Baclofen , and is described to competitively antagonize responses to exogenously applied Baclofen.

Specifications

Synonyme

NCGC00261652-01 | P-[3-Amino-2-(4-chlorophenyl)propyl]-Phosphonic acid | NCGC00015781-04 | VSGNGLJPOGUDON-UHFFFAOYSA-N | SR-01000075640-3 | Phaclofen, solid | (+/-)-3-Amino-2-(4-chlorophenyl)-propylphosphomic acid | Lopac0_000967 | NCGC00015781-06 | Q7179

Spezifikationen & Reinheit

Moligand™, ≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of GABA B receptor

Reinheit

≥98%

Produkteigenschaften

• pKa: pKₐ: 1.87 (Predicted), pKₐ: 9.58 (Predicted)

Namen und Kennungen

• Pubchem Sid: 528772905
• Kanonisches Lächeln: C1=CC(=CC=C1C(CN)CP(=O)(O)O)Cl
• IUPAC Name: [3-amino-2-(4-chlorophenyl)propyl]phosphonic acid
• InChIKey: VSGNGLJPOGUDON-UHFFFAOYSA-N
• INCHI: 1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)
• Isomere SMILES: C1=CC(=CC=C1C(CN)CP(=O)(O)O)Cl
• WGK Deutschland: 3
• RTECS: SZ6507000
• PubChem CID: 1641
• Molekulargewicht: 249.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Organophosphonic acid - Organophosphonic acid derivative - Organic nitrogen compound - Primary amine - Organophosphorus compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Primary aliphatic amine - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

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KCTD8 Tbio BTB/POZ domain-containing protein KCTD8 (0 Activities)

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GABBR2 Tclin Gamma-aminobutyric acid type B receptor subunit 2 (0 Activities)

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GABBR1 Tclin Gamma-aminobutyric acid type B receptor subunit 1 (0 Activities)

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KCTD12 Tchem BTB/POZ domain-containing protein KCTD12 (0 Activities)

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KCTD16 Tbio BTB/POZ domain-containing protein KCTD16 (0 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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HEK293 (82097 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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nfo Endonuclease 4 (425 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in 1N NaOH (100 mM), 0.1 M HCl (13.3 mg/ml), methanol (19.3 mg/ml), water, and DMSO.
• Brechungsindex: n20D1.59 (Predicted)
• Siedepunkt (°C): ~467.1° C at 760 mmHg (Predicted)
• Molekulargewicht: 249.630 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 249.032 Da
• Monoisotopic Mass: 249.032 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 238.000
• 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