2-Amino-5-[(5-nitro-2-thiazolyl)thio]-1,3,4-thiadiazole - Moligand™, ≥96% , Inhibitor of mitogen-activated protein kinase 8, CAS No.40045-50-9, Inhibitor of mitogen-activated protein kinase 8

CAS: 40045-50-9 Cat. No.: A151167 Peso molecular: 261.29 Número EC: 878-351-1

GRADE & PURITY Moligand™, ≥96%

Synonyms

5-(5-Nitrothiazol-2-ylthio)-1,3,4-thiadiazol-2-amine | AKOS040739250 | 1,3,4-Thiadiazol-2-amine, 5-((5-nitro-2-thiazolyl)thio)- | 5-[(5-Nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-amine | 5-[(5-Nitro-2-thiazolyl)thio]-1,3,4thiadiazol-2-amine | compound 9 [

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Product description：

SU3327 is a potent, selective and substrate-competitive JNK inhibitor with an IC50 of 0.7 μM. SU3327 also inhibits protein-protein interactions between JNK and JNK Interacting Protein (JIP) with an IC50 of 239 nM. SU3327 shows less active against p38α and Akt kinase.

Specifications

Sinónimos

5-(5-Nitrothiazol-2-ylthio)-1, 3, 4-thiadiazol-2-amine | AKOS040739250 | 1, 3, 4-Thiadiazol-2-amine, 5-((5-nitro-2-thiazolyl)thio)- | 5-[(5-Nitro-2-thiazolyl)thio]-1, 3, 4-thiadiazol-2-amine | 5-[(5-Nitro-2-thiazolyl)thio]-1, 3, 4thiadiazol-2-amine | compound 9 [

Especificaciones y pureza

Moligand™, ≥96%

Mecanismos bioquímicos y fisiológicos

Selective inhibitor of c-Jun N-terminal kinase (JNK) (IC50= 0.7μM). Inhibits the protein-protein interaction between JNK and JIP (IC50= 239 nM). Displays selectivity over p38 MAPK and Akt. Restores insulin sensitivity in a mouse model of type-2 diabetes.

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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 mitogen-activated protein kinase 8

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488197779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197779
• Sonrisas canónicas: C1=C(SC(=N1)SC2=NN=C(S2)N)[N+](=O)[O-]
• IUPAC Name: 5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
• InChIKey: NQQBNZBOOHHVQP-UHFFFAOYSA-N
• INCHI: 1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)
• Isómeros SMILES: C1=C(SC(=N1)SC2=NN=C(S2)N)[N+](=O)[O-]
• Peso molecular: 261.29
• Reaxy-Rn: 1139980
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1139980&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: Diarylthioethers
• Alternative Parents: Nitrothiazoles Nitroaromatic compounds 2-amino-5-substituted-1,3,4-thiadiazoles 2,5-disubstituted thiazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diarylthioether - Nitroaromatic compound - Nitrothiazole - 2,5-disubstituted 1,3-thiazole - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Azole - Heteroaromatic compound - Thiadiazole - Thiazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organic salt - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl 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)

MAPK8 Tchem Mitogen-activated protein kinase 8 (0 Activities)

Discover Target: MAPK8

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

MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

Discover Target: MAPK14

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

FURIN Tchem Furin (909 Activities)

Discover Target: FURIN

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

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

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

Liver microsomes (16955 Activities)

Explore this target

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

MAPK8 Tchem c-Jun N-terminal kinase, JNK (688 Activities)

Discover Target: MAPK8

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

Mus musculus (284745 Activities)

Explore this target

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

Plasma (328 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: 26.13, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.61, Max Conc. mM: 10
• Sensibilidad: Heat Sensitive；Light sensitive
• Punto de fusión (°C): 160 °C(dec.)
• Peso molecular: 261.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 260.945 Da
• Monoisotopic Mass: 260.945 Da
• Topological Polar Surface Area: 192.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 251.000
• 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