BD750 - 10mM in DMSO , CAS No.892686-59-8

CAS: 892686-59-8 Cat. No.: B426715 Formule: C₁₄H₁₃N₃OS Poids moléculaire: 271.34 Numéro CE: 804-735-5 PubChem CID: 16459674

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

• Pubchem Sid: 528763406
• Sourires canoniques: 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
• Isomères SMILES: C1CCC2=C(C1)C(=O)N(N2)C3=NC4=CC=CC=C4S3
• WGK Allemagne: 3
• PubChem CID: 16459674
• Poids moléculaire: 271.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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