SML0911

TAK-779

≥98% (HPLC)

• Sinónimos: N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium chloride, TAK-799, Takeda 779
• Fórmula empírica (notación de Hill): C₃₃H₃₉ClN₂O₂
• Número de CAS: 229005-80-5
• Peso molecular: 531.13
• Código UNSPSC: 51111800
• NACRES: NA.77

Propiedades

• Nivel de calidad: 100
• Ensayo: ≥98% (HPLC)
• Formulario: powder
• color: white to beige
• solubilidad: H₂O: 3 mg/mL, clear (warmed)
• temp. de almacenamiento: 2-8°C
• cadena SMILES: Cl.[N+](C5CCOCC5)(Cc1ccc(cc1)\N=C(/[O-])\C2=Cc3c(ccc(c3)c4ccc(cc4)C)CCC2)(C)C
• InChI: 1S/C33H38N2O2.ClH/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32;/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3;1H
• Clave InChI: VDALIBWXVQVFGZ-UHFFFAOYSA-N

Descripción

Aplicación

TAK-779 has been used to inhibit CC chemokine ligand 5 (CCL5)– C-C chemokine receptor type 5 (CCR5) interaction in vitro in natural killer (NK) cytotoxicity assay. It has also been used as a blocker of CCR5 to study its effects and to evaluate the opening of the Panx-1 channels on peripheral blood mononuclear cells (PBMCs) isolated from human immunodeficiency virus (HIV)-infected individuals.

Acciones bioquímicas o fisiológicas

TAK-779 inhibits human immunodeficiency virus (HIV) entrance by blocking the C-C chemokine receptor type 5 (CCR5). It also impairs the formation of atherosclerotic lesions by preventing T-helper 1 cells from entering the plaque. TAK-779 possesses anti-immunogenic properties. In an arthritis model, it could prevent the inflow of CCR5- and chemokine (C-X-C motif) receptor 3 (CXCR3)-positive T cells into inflamed joints. In mice, TTAK-779 protects the brain from focal cerebral ischemia.

TAK-779 is a potent, dual antagonist at chemokine receptors C-C chemokine receptor type 2 (CCR2) and C-C chemokine receptor type 5 (CCR5) with IC⁵⁰ = 1.4 nM at CCR5 and 2.3 nM at CCR2. Antagonists of both CCR2 and CCR5 such as TAK-779 have been investigated for treatment of viruses, rheumatoid arthritis, multiple sclerosis, and cancer. CCR5 is particularly targeted for anti-HIV therapy, since HIV entry into cells requires chemokine coreceptors CCR5 and C-X-C motif chemokine receptor 4 (CXCR4).

TAK-779 is a potent, dual antagonist at chemokine receptors CCR2 and CCR5.

Información de seguridad

• Código de clase de almacenamiento: 11 - Combustible Solids
• Clase de riesgo para el agua (WGK): WGK 3
• Punto de inflamabilidad (°F): Not applicable
• Punto de inflamabilidad (°C): Not applicable