GRADE & PURITY ≥98%

Synonyms

2-(2-Benzothiazolyl)-4,5,6,7-tetrahydro-2H-indazol-3-ol | MS-23843 | STK241724 | STK615824 | 2-(1,3-benzothiazol-2-yl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one | 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one | bd750 | AKOS005550035 | 2-(2-be

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

BD750 is an immunosuppressant and a dual inhibitor ofJAK3andSTAT5that inhibits IL-2-induced JAK3/STAT5-dependent T cell proliferation with IC50 of 1.5 μM and 1.1 μM for mouse and human T-cell proliferation, respectively.

Targets

JAK3 ; STAT5 ; human T-cell proliferation (Cell-based assay); mouse T-cell proliferation (Cell-based assay) ; 1.1 μM; 1.5 μM

Specifications

Sinónimos

2-(2-Benzothiazolyl)-4, 5, 6, 7-tetrahydro-2H-indazol-3-ol | MS-23843 | STK241724 | STK615824 | 2-(1, 3-benzothiazol-2-yl)-1, 2, 4, 5, 6, 7-hexahydro-3H-indazol-3-one | 2-(1, 3-benzothiazol-2-yl)-4, 5, 6, 7-tetrahydro-1H-indazol-3-one | bd750 | AKOS005550035 | 2-(2-be

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

BD750 is an immunosuppressant and a dual inhibitor of JAK3 and STAT5 that inhibits IL-2-induced JAK3/STAT5-dependent T cell proliferation with IC50 of 1.5 μM and 1.1 μM for mouse and human T-cell proliferation, respectively.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504768466
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768466
• Sonrisas canónicas: C1CCC2=C(C1)C(=O)N(N2)C3=NC4=CC=CC=C4S3
• IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
• InChIKey: QWUHPPCZZXKXOQ-UHFFFAOYSA-N
• INCHI: 1S/C14H13N3OS/c18-13-9-5-1-2-6-10(9)16-17(13)14-15-11-7-3-4-8-12(11)19-14/h3-4,7-8,16H,1-2,5-6H2
• Isómeros SMILES: C1CCC2=C(C1)C(=O)N(N2)C3=NC4=CC=CC=C4S3
• WGK Alemania: 3
• PubChem CID: 16459674
• Peso molecular: 271.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Pyrazolones Benzenoids Vinylogous amides Thiazoles Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Pyrazolinone - Benzenoid - Azole - Pyrazole - Thiazole - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 30 mg/mL (110.56 mM); Ethanol: 27 mg/mL (99.5 mM); Water: Insoluble
• Peso molecular: 271.340 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 271.078 Da
• Monoisotopic Mass: 271.078 Da
• Topological Polar Surface Area: 73.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 436.000
• 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