2-Hydroxysaclofen - Moligand™, ≥95% , Antagonist of GABA B1;Antagonist of GABA B receptor, CAS No.117354-64-0, Antagonist of GABA B1;Antagonist of GABA B receptor

CAS: 117354-64-0 Cat. No.: H286964 Formule: C₉H₁₂ClNO₄S Poids moléculaire: 265.71 Numéro CE: 634-206-2

GRADE & PURITY Moligand™, ≥95%

Synonyms

2-OH-Saclofen | 3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid | 2-Hydroxy-saclofen | (RS)-3-Amino-2-(4-chlorophenyl)-2-hydroxypropyl-sulfonic acid | 3-Amino-2-(4-chlorophenyl)-2-hydroxypropanesulfonic acid

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

2-Hydroxysaclofen is a potent γ-amino-butyric-acid-B (GABAB) receptor antagonist. 2-Hydroxysaclofen can abolish nicotine-induced hypolocomotor effects and increases the antinociceptive effects. 2-Hydroxysaclofen can stimulate luteinizing hormone (LH) secretion in female rats.

Specifications

Synonymes

2-OH-Saclofen | 3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid | 2-Hydroxy-saclofen | (RS)-3-Amino-2-(4-chlorophenyl)-2-hydroxypropyl-sulfonic acid | 3-Amino-2-(4-chlorophenyl)-2-hydroxypropanesulfonic acid

Spécifications et pureté

Moligand™, ≥95%

Mécanismes biochimiques et physiologiques

Selective antagonist at GABABreceptors.

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of GABA B1;Antagonist of GABA B receptor

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528757574
• Sourires canoniques: C1=CC(=CC=C1C(CN)(CS(=O)(=O)O)O)Cl
• IUPAC Name: 3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid
• InChIKey: WBSMZVIMANOCNX-UHFFFAOYSA-N
• INCHI: 1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)
• Isomères SMILES: C1=CC(=CC=C1C(CN)(CS(=O)(=O)O)O)Cl
• Poids moléculaire: 265.71
• Reaxy-Rn: 3593140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3593140&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aralkylamines Aryl chlorides Tertiary alcohols Sulfonyls Organosulfonic acids Alkanesulfonic acids 1,2-aminoalcohols Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Organosulfonic acid or derivatives - Tertiary alcohol - Sulfonyl - Organosulfonic acid - 1,2-aminoalcohol - Organic nitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Description: 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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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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 (1 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 5; Solvent:1eq. NaOH, Max Conc. mg/mL: None, Max Conc. mM: 100
• Poids moléculaire: 265.710 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 265.018 Da
• Monoisotopic Mass: 265.018 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 321.000
• 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