SJM-3 - ≥97% , CAS No.1234977-97-9

CAS: 1234977-97-9 Cat. No.: S651262 Molecular Weight: 354.40 PubChem CID: 49713517

GRADE & PURITY ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SJM-3 is a positive allosteric modulator of different isoforms of the GABAA receptor. SJM-3 binds at the high-affinity benzodiazepine binding site at the α+/γ- subunit interface

In Vitro

SJM-3 binds at the high-affinity benzodiazepine binding site at theα+/γ- subunit interface but effects its action through another site presumably located within the transmembrane domain. The binding affinity of SJM-3 at wild type receptors is determined by displacement of [ 3 H]-Flunitrazepam and [ 3 H]-Ro15-1788 and indicates a K i of SJM-3 amounting to 218±70 nM and 242±38 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:GABAA receptor

Specifications

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

SJM-3 is a positive allosteric modulator of different isoforms of the GABAA receptor. SJM-3 binds at the high-affinity benzodiazepine binding site at the α+/γ- subunit interface.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1CCC2=C(N1C(=O)C3=CSC(=N3)C4=NC=CN=C4)C=CC(=C2)F
• IUPAC Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
• InChIKey: MCMRMBOJJFVNHG-UHFFFAOYSA-N
• INCHI: 1S/C18H15FN4OS/c1-11-2-3-12-8-13(19)4-5-16(12)23(11)18(24)15-10-25-17(22-15)14-9-20-6-7-21-14/h4-11H,2-3H2,1H3
• Isomeric SMILES: CC1CCC2=C(N1C(=O)C3=CSC(=N3)C4=NC=CN=C4)C=CC(=C2)F
• PubChem CID: 49713517
• Molecular Weight: 354.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Thiazolecarboxamides 2-heteroaryl carboxamides 2,4-disubstituted thiazoles Pyrazines Benzenoids Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroquinoline - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2,4-disubstituted 1,3-thiazole - Aryl fluoride - Aryl halide - Benzenoid - Pyrazine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Azacycle - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 10 mg/mL (28.22 mM; ultrasonic and warming and heat to 60°C)