| Identification | Back Directory | [Name]
Tak 799 | [CAS]
229005-80-5 | [Synonyms]
Tak 799
CS-2889
Takeda 779
TAK-779(Cl)
TAK 799 ;TAK 779
TAK-779 >=98% (HPLC)
TAK-779;TAK 779;TAK779
TAK779;TAK 799;TAKEDA 779
TAK-779 Chemical Structure
N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium chloride
N,N-Dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium chloride
2H-Oyran-4-aminium, N-((4-(((6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl)carbonyl)amino)phenyl)methyl)tetrahydro-N,N-dimethyl-
2H-Pyran-4-aminium, N,N-dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-, chloride | [Molecular Formula]
C33H39N2O2.Cl | [MDL Number]
MFCD05662319 | [MOL File]
229005-80-5.mol | [Molecular Weight]
531.136 |
| Chemical Properties | Back Directory | [storage temp. ]
2-8°C | [solubility ]
H2O: soluble3mg/mL, clear (warmed) | [form ]
powder | [color ]
white to beige | [Water Solubility ]
H2O: 3mg/mL, clear (warmed) | [InChIKey]
VDALIBWXVQVFGZ-UHFFFAOYSA-N | [SMILES]
C(=O)(NC1C=CC(=CC=1)C[N+](C)(C)C1CCOCC1)C1CCCC2C=CC(C3C=CC(C)=CC=3)=CC=2C=1.[Cl-] |
| Hazard Information | Back Directory | [Uses]
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. | [Biochem/physiol Actions]
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). | [in vivo]
TAK-779 (10 mg/kg per day, s.c.) significantly prolongs the allograft survival of the rat intestinal transplantation model. TAK-779 also decreases the number of CD4+ as well as CD8+ T cells in spleen, blood and recipient mesenteric lymph nodes (MLN)[2]. TAK-779 (150 μg per mouse, s.c.) supppresses the development of experimental autoimmune encephalomyelitis (EAE) in myelin oligodendrocyte glycoprotein (MOG)-immunized C57BL/6 mice. TAK-779 decreases the infiltration of CXCR3 and CCR5 bearing leukocytes into the spinal cord. TAK-779 does not alter myelin oligodendrocyte glycoprotein (MOG)-specific immune responses or affect the potential of MOG-specific T cells to transfer experimental autoimmune encephalomyelitis (EAE)[3]. | [IC 50]
MIP-1α-CCR5: 1 nM (IC50, in CHO/CCR5 cells); MIP-1β-CCR5: 1 nM (IC50, in CHO/CCR5 cells); RANTES-CCR5: 1.4 nM (IC50, in CHO/CCR5 cells); MCP-1-CCR2b: 27 nM (IC50, in CHO/CCR5 cells); R5 HIV-1 (Ba-L): 1.2 nM (EC50, in MAGI-CCR5 cells); R5 HIV-1 (KK): 1.6 nM (EC50, in PBMCs); R5 HIV-1 (HHA): 3.2 nM (EC50, in PBMCs); R5 HIV-1 (CTV): 3.5 nM (EC50, in PBMCs); R5 HIV-1 (Ba-L): 3.7 nM (EC50, in PBMCs); R5 HIV-1 (Ba-L): 5.7 nM (EC90, in MAGI-CCR5 cells); R5 HIV-1 (HHA): 7.5 nM (EC90, in PBMCs); R5 HIV-1 (Ba-L): 12.8 nM (EC90, in PBMCs); R5 HIV-1 (KK): 20.8 nM (EC90, in PBMCs); R5 HIV-1 (CTV): 27 nM (EC90, in PBMCs); mCXCR3: 369 nM (IC50, in PBMCs) | [storage]
Store at -20°C |
|
|