Gue 1654 - Moligand™, ≥97%(HPLC) , Allosteric modulator of OXE receptor, CAS No.397290-30-1, Allosteric modulator of OXE receptor

CAS: 397290-30-1 Cat. No.: G287074 Peso molecular: 447.6 Número EC: 803-953-8

GRADE & PURITY Moligand™, ≥97%(HPLC)

Synonyms

N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2,2-di(phenyl)acetamide | N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2,2-diphenylacetamide | 7-(Methylthio)-2-[(2,2-diphenylacetyl)amino]benzo[1,2-d | N-[7-(Methylthio)be

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

N-(2-methylsulfanyl-[1, 3]thiazolo[4, 5-g][1, 3]benzothiazol-7-yl)-2, 2-di(phenyl)acetamide | N-(2-methylsulfanyl-[1, 3]thiazolo[4, 5-g][1, 3]benzothiazol-7-yl)-2, 2-diphenylacetamide | 7-(Methylthio)-2-[(2, 2-diphenylacetyl)amino]benzo[1, 2-d | N-[7-(Methylthio)be

Especificaciones y pureza

Moligand™, ≥97%(HPLC)

Mecanismos bioquímicos y fisiológicos

Oxoeicosanoid receptor 1 (OXE-R) modulator. Selectively inhibits Gβγbut not Gαisignaling upon activation of the Gαi-βγheterotrimer by OXE-R. Inhibits Gβγ-mediated opening of GIRK1/2 channels in HEK293 cells.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of OXE receptor

Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
• IUPAC Name: N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2,2-diphenylacetamide
• InChIKey: UFOBDFMYJABXGK-UHFFFAOYSA-N
• INCHI: 1S/C23H17N3OS3/c1-28-23-25-17-13-12-16-19(20(17)30-23)29-22(24-16)26-21(27)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3,(H,24,26,27)
• Isómeros SMILES: CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
• WGK Alemania: 3
• Peso molecular: 447.6
• Reaxy-Rn: 39210728
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39210728&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylacetamides Benzothiazoles N-arylamides Alkylarylthioethers Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diphenylmethane - Phenylacetamide - 1,3-benzothiazole - Aryl thioether - N-arylamide - Alkylarylthioether - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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)

OXER1 Tchem Oxoeicosanoid receptor 1 (1 Activities)

Discover Target: OXER1

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

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 22.38, Max Conc. mM: 50
• Peso molecular: 447.600 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 447.053 Da
• Monoisotopic Mass: 447.053 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 578.000
• 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