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ChemicalBook--->CAS DataBase List--->333994-00-6

333994-00-6

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333994-00-6 Structure

333994-00-6 Structure
IdentificationBack Directory
[Name]

TAK-220
[CAS]

333994-00-6
[Synonyms]

TAK-220
TAK 220;TAK220
1-ACETYL-N-(3-(4-(4-CARBAMOYLBENZYL)PIPERIDIN-1-YL)PROPYL)-N-(3-CHLORO-4-METHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE
4-Piperidinecarboxamide, 1-acetyl-N-[3-[4-[[4-(aminocarbonyl)phenyl]methyl]-1-piperidinyl]propyl]-N-(3-chloro-4-methylphenyl)-
[Molecular Formula]

C31H41ClN4O3
[MDL Number]

MFCD28502079
[MOL File]

333994-00-6.mol
[Molecular Weight]

553.14
Chemical PropertiesBack Directory
[Melting point ]

166-167 °C(Solv: ethyl acetate (141-78-6); ethanol (64-17-5))
[Boiling point ]

757.8±60.0 °C(Predicted)
[density ]

1.208±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: soluble
[form ]

A crystalline solid
[pka]

16.16±0.50(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Description]

TAK-220 is an orally bioavailable antagonist of chemokine (C-C motif) receptor 5 (CCR5). It binds to CCR5 (IC50 = 3.5 nM for the human receptor in CHO cells), but not CCR1, CCR2b, CCR3, CCR4, or CCR7. TAK-220 inhibits the binding of chemokine (C-C motif) ligand 5 (CCL5) and CCL3 to CCR5 (IC50s = 3.5 and 1.4 nM, respectively) but does not inhibit binding of CCL4. It inhibits HIV-1 envelope-mediated membrane fusion in a macrophage (M-tropic) R5, but not in a T cell (T-tropic) X4, strain of HIV-1 (IC50s = 0.42 and >1,000 nM, respectively). TAK-220 inhibits the replication of six strains of R5 HIV-1 clinical isolates (EC90 overall mean = 13 nM) and the R5 JR-FL laboratory-adapted strain (EC50 = 0.6 nM), but not of X4 HIV-1 clinical isolates or the X4 IIIB laboratory-adapted strain (EC50s = >10,000 nM for both), in human peripheral blood mononuclear cells (PBMCs).
[storage]

Store at -20°C
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