Dooku 1 - Moligand™, ≥98%(HPLC) , Inhibitor of Piezo1, CAS No.2253744-54-4, Inhibitor of Piezo1

CAS: 2253744-54-4 Cat. No.: D286644 Molecular Weight: 326.2

GRADE & PURITY Moligand™, ≥98%(HPLC)

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 -20°C

Shipped In

Ice chest + Ice pads

Specifications

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

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

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.

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.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Piezo1

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: 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
• Molecular Weight: 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
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 32.62, Max Conc. mM: 100
• Sensitivity: Moisture sensitive.
• Molecular Weight: 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