Dooku 1 - Moligand™, 10mM in DMSO , Inhibitor of Piezo1, CAS No.2253744-54-4, Inhibitor of Piezo1

CAS: 2253744-54-4 Cat. No.: D422708 Peso molecular: 326.2

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

2-[(2,6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole | Dooku1 | 2-((2,6-dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazol

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

2-[(2, 6-Dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1, 3, 4-oxadiazole | Dooku1 | 2-((2, 6-dichlorobenzyl)thio)-5-(1H-pyrrol-2-yl)-1, 3, 4-oxadiazol

Especificaciones y pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Reversibly blocks Yoda1 activity (IC50 = ~1.5 μM). It had no effect on constitutive Piezo1 channel activity, but antagonized Yoda1-induced Piezo1 activation in endothelial cells and inhibited Yoda1-induced Ca2+ entry in vitro.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of Piezo1

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C(=C1)Cl)CSC2=NN=C(O2)C3=CC=CN3)Cl
• IUPAC Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(1H-pyrrol-2-yl)-1,3,4-oxadiazole
• InChIKey: MNPOBXLPCWFONX-UHFFFAOYSA-N
• INCHI: 1S/C13H9Cl2N3OS/c14-9-3-1-4-10(15)8(9)7-20-13-18-17-12(19-13)11-5-2-6-16-11/h1-6,16H,7H2
• Peso molecular: 326.2
• Reaxy-Rn: 32688540
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32688540&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Chlorobenzenes Alkylarylthioethers Pyrroles Heteroaromatic compounds 1,3,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Alkylarylthioether - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Oxadiazole - Azole - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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)

PIEZO1 Tchem Piezo-type mechanosensitive ion channel component 1 (2 Activities)

Discover Target: PIEZO1

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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Peso molecular: 326.200 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 324.984 Da
• Monoisotopic Mass: 324.984 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 316.000
• 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