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 Molecular Weight: 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

Overview

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

Synonyms

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

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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.

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of 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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC)N3CCN(CC3)C)C4=CC=NC=C4
• MeSH Entry Terms: 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
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

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)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol to 25 mM
• Sensitivity: Light sensitive
• Molecular Weight: 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