GR 125743 - Moligand™, ≥98% , Antagonist of 5-HT 1A receptor, CAS No.148547-33-5, Antagonist of 5-HT 1A receptor

CAS: 148547-33-5 Cat. No.: G274747 Formule: C₂₅H₂₈N₄O₂ Poids moléculaire: 416.52

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-[4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-(pyridin-4-yl)benzamide

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Vue d’ensemble

GR 125743 is a selective 5-HT1B/1D receptor antagonist, with pKis of 8.85 and 8.31 for wild-type h5-HT1B and wild-type h5-HT1D, respectively. GR 125743 is used for the research of Parkinson's disease and cardiovascular diseases

Specifications

Synonymes

N-[4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-(pyridin-4-yl)benzamide

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

5-HT 1B / 1D antagonist (pK i = 8.5), often used in tritiated form as a radiolabelled probe. Shows approx. 100-fold selectivity over other 5-HT receptors and shows CNS and oral activity.

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

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

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of 5-HT 1A receptor

Note

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.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528764637

Sourires canoniques

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)C)C4=CC=NC=C4

IUPAC Name

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-4-pyridin-4-ylbenzamide

InChIKey

GNOXPYACARZYMW-UHFFFAOYSA-N

INCHI

1S/C25H28N4O2/c1-18-16-20(4-6-22(18)19-8-10-26-11-9-19)25(30)27-21-5-7-24(31-3)23(17-21)29-14-12-28(2)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,27,30)

Isomères SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)C)C4=CC=NC=C4

Termes d'entrée MeSH

GR 125,743;GR 125743;GR-125,743;GR-125743;N-(4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)-3-methyl-4-(4-pyridyl)benzamide

Poids moléculaire

416.52

Reaxy-Rn

9228032

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9228032&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: N-arylpiperazines Phenylpiperazines Phenylpyridines Aminophenyl ethers Benzamides Methoxyanilines m-Toluamides Anisoles Methoxybenzenes Dialkylarylamines Benzoyl derivatives Phenoxy compounds N-methylpiperazines Alkyl aryl ethers Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - 4-phenylpyridine - N-arylpiperazine - Phenylpiperazine - Aminophenyl ether - Methoxyaniline - Benzoic acid or derivatives - Toluamide - M-toluamide - Benzamide - Methoxybenzene - Anisole - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Benzoyl - Phenoxy compound - Toluene - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyridine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= 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

Cibles associées (humaines)

HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)

Discover Target: HTR1A

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol to 25 mM
• Sensibilité: Light sensitive
• Poids moléculaire: 416.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 416.221 Da
• Monoisotopic Mass: 416.221 Da
• Topological Polar Surface Area: 57.700 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 574.000
• 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: 1