Acamprosate Calcium - 10mM in Water , GABA-A receptor; anion channel positive modulator, CAS No.77337-73-6, GABA-A receptor; anion channel positive modulator

CAS: 77337-73-6 Cat. No.: A425904 Formule: C₁₀H₂₀CaN₂O₈S₂ Poids moléculaire: 400.47 Numéro CE: 278-665-3

GRADE & PURITY 10mM in Water

Synonyms

Acamprosate calcium|77337-73-6|Alcomed|Campral|Sobriol|Campral EC|Aotal|calcium acetylhomotaurinate|Calcium 3-(acetylamino)propane-1-sulfonate|calcium 3-acetamidopropane-1-sulfonate|1-Propanesulfonic acid, 3-(acetylamino)-, calcium salt (2:1)|Acamprosate

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

Acamprosate calcium | 77337-73-6 | Alcomed | Campral | Sobriol | Campral EC | Aotal | calcium acetylhomotaurinate | Calcium 3-(acetylamino)propane-1-sulfonate | calcium 3-acetamidopropane-1-sulfonate | 1-Propanesulfonic acid, 3-(acetylamino)-, calcium salt (2:1) | Acamprosate

Spécifications et pureté

10mM in Water

Mécanismes biochimiques et physiologiques

GABA receptor agonist and modulator of glutamatergic systems. Reduces alcohol consumption in animal models of alcohol addiction.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ANTAGONIST

Mécanisme d'action

GABA-A receptor; anion channel positive modulator

Noms et identifiants

Pubchem Sid

528776287

Sourires canoniques

CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]

IUPAC Name

calcium;3-acetamidopropane-1-sulfonate

InChIKey

BUVGWDNTAWHSKI-UHFFFAOYSA-L

INCHI

1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2

Isomères SMILES

CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]

WGK Allemagne

3

RTECS

TZ6357000

CAS alternatif

77337-76-9

Poids moléculaire

400.47

Reaxy-Rn

8945911

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8945911&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Acetamides Secondary carboxylic acid amides Organic calcium salts Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Organosulfonic acid - Sulfonyl - Acetamide - Alkanesulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic calcium salt - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: organic calcium salt

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 (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 270°C(lit.)
• Poids moléculaire: 400.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 400.029 Da
• Monoisotopic Mass: 400.029 Da
• Topological Polar Surface Area: 189.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

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