DS2 - Moligand™, ≥97%(HPLC) , Agonist of GABA A receptor δ; subunit, CAS No.374084-31-8, Agonist of GABA A receptor δ; subunit

CAS: 374084-31-8 Cat. No.: D288550 Fórmula: C₁₈H₁₂ClN₃OS Peso molecular: 353.83 Número EC: 101-493-6

CALIDAD & PUREZA Moligand™, ≥97%(HPLC)

Synonyms

NS-05662 | 4-Chloro-N-[2-(2-thienyl)imidazo[1,2-a]pyridin-3-yl]benzamide | Q27077117 | BIM-0003182.P001 | EN300-7478430 | SR-01000493095 | 4-chloro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide | BDBM50457445 | HY-103520 | SCHEMBL19695349 | DTXSI

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Especificaciones

Sinónimos

NS-05662 | 4-Chloro-N-[2-(2-thienyl)imidazo[1,2-a]pyridin-3-yl]benzamide | Q27077117 | BIM-0003182.P001 | EN300-7478430 | SR-01000493095 | 4-chloro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide | BDBM50457445 | HY-103520 | SCHEMBL19695349 | DTXSI

Especificaciones y pureza

Moligand™, ≥97%(HPLC)

Mecanismos bioquímicos y fisiológicos

Positive allosteric modulator of GABAAreceptors. Potentiates GABA-evoked currents mediated by α4β3δ receptors (EC50= 142 nM,in vitro). Displays complex selectivity profile, with selectivity for δ-containing receptors (α4/6βxδ > α1βxδ >> γ2 > α4β3 GABAArec

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of GABA A receptor δ; subunit

Pureza

≥97%(HPLC)

Nombres e identificadores

Sonrisas canónicas

C1=CC2=NC(=C(N2C=C1)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

IUPAC Name

4-chloro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

InChIKey

AZKMWHRDICVYEI-UHFFFAOYSA-N

INCHI

1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)

Isómeros SMILES

C1=CC2=NC(=C(N2C=C1)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

Peso molecular

353.83

Reaxy-Rn

28616507

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28616507&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Imidazo[1,2-a]pyridines Imidazopyridines Benzoyl derivatives Chlorobenzenes Aryl chlorides Pyridines and derivatives N-substituted imidazoles Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Imidazopyridine - Imidazo[1,2-a]pyridine - Benzamide - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyridine - N-substituted imidazole - Thiophene - Imidazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
• 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

Objetivos asociados (humanos)

GABRD Tclin Gamma-aminobutyric acid receptor subunit delta (0 Activities)

Discover Target: GABRD

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

GABRB3 Tclin Gamma-aminobutyric acid receptor subunit alpha-6/beta-3 (3 Activities)

Discover Target: GABRB3

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Gabra4 Gamma-aminobutyric acid receptor subunit alpha-4/beta-3 (9 Activities)

Discover Target: Gabra4

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

Gabrd Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/delta (11 Activities)

Discover Target: Gabrd

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

Gabrg2 Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/gamma-2 (8 Activities)

Discover Target: Gabrg2

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

Gabrd Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/delta (24 Activities)

Discover Target: Gabrd

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

Gabrg2 Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2 (184 Activities)

Discover Target: Gabrg2

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

Gabrd Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/delta (10 Activities)

Discover Target: Gabrd

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

Gabrg2 Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (2 Activities)

Discover Target: Gabrg2

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

Gabra1 Gamma-aminobutyric acid receptor subunit alpha-1/beta-3 (29 Activities)

Discover Target: Gabra1

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

Gabrd Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/delta (9 Activities)

Discover Target: Gabrd

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 17.69, Max Conc. mM: 50
• Peso molecular: 353.800 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 353.039 Da
• Monoisotopic Mass: 353.039 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 458.000
• 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