Yoda 1 - Moligand™, ≥98% , Activator of Piezo1, CAS No.448947-81-7, Activator of Piezo1

CAS: 448947-81-7 Cat. No.: Y287590 Formula: C₁₃H₈Cl₂N₄S₂ Peso molecolare: 355.27 Numero EC: 998-870-8 PubChem CID: 2746822

GRADE & PURITY Moligand™, ≥98%

Synonyms

GTPL9817 | s6678 | UNII-TW6GF9RW6S | 2-[5-[[(2,6-Dichlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]pyrazine | 2-[5-[[(2,6-dichlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-pyrazine | 2-[5-(2,6-Dichloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-yl]-pyrazine | N

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

GTPL9817 | s6678 | UNII-TW6GF9RW6S | 2-[5-[[(2,6-Dichlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]pyrazine | 2-[5-[[(2,6-dichlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-pyrazine | 2-[5-(2,6-Dichloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-yl]-pyrazine | N

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

Piezo1 channel activator. Slows the inactivation phase of transient currents, sensitizes Piezo1 to activation by pressure, and partially activates channels in the absence of external pressure, in HEK cells expressing Piezo1 channels.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ACTIVATOR

Meccanismo d'azione

Activator of Piezo1

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504761405

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761405

Sorrisi canonici

C1=CC(=C(C(=C1)Cl)CSC2=NN=C(S2)C3=NC=CN=C3)Cl

IUPAC Name

2-[(2,6-dichlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-thiadiazole

InChIKey

BQNXBSYSQXSXPT-UHFFFAOYSA-N

INCHI

1S/C13H8Cl2N4S2/c14-9-2-1-3-10(15)8(9)7-20-13-19-18-12(21-13)11-6-16-4-5-17-11/h1-6H,7H2

Isomeri SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NN=C(S2)C3=NC=CN=C3)Cl

PubChem CID

2746822

Peso molecolare

355.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Alkylarylthioethers Pyrazines Aryl chlorides Thiadiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - 1,3-dichlorobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrazine - Azole - Heteroaromatic compound - Thiadiazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Obiettivi associati (umani)

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)

Obiettivi associati (non umani)

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 7.11, Max Conc. mM: 20
• Peso molecolare: 355.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 353.957 Da
• Monoisotopic Mass: 353.957 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 329.000
• 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