| Identification | Back Directory | [Name]
NIBR189 | [CAS]
1599432-08-2 | [Synonyms]
CS-1583
NIBR189
NIBR-189; NIBR 189
(E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one
(2E)-3-(4-Bromophenyl)-1-[4-(4-methoxybenzoyl)-1-piperazinyl]-2-propen-1-one
(2E)-3-(4-Bromophenyl)-1-[4-4-methoxybenzoyl)-1-piperazinyl]-2-propene-1-one
2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)-1-piperazinyl]-, (2E)- | [Molecular Formula]
C21H21BrN2O3 | [MDL Number]
MFCD13304236 | [MOL File]
1599432-08-2.mol | [Molecular Weight]
429.31 |
| Chemical Properties | Back Directory | [Boiling point ]
639.7±55.0 °C(Predicted) | [density ]
1.403±0.06 g/cm3(Predicted) | [storage temp. ]
Desiccate at -20°C | [solubility ]
≥42.9 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH | [form ]
solid | [pka]
-0.86±0.70(Predicted) | [color ]
White to off-white | [InChI]
1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+ | [InChIKey]
OFHXXBRBGWUOHR-NYYWCZLTSA-N | [SMILES]
Brc1ccc(cc1)\C=C\C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)OC |
| Hazard Information | Back Directory | [Uses]
(2E)-3-(4-Bromophenyl)-1-[4-(4-methoxybenzoyl)-1-piperazinyl]-2-propen-1-one recently known as NIBR 189, is a selective Epstein-barr virus-induced gene 2 (EBI-2) receptor antagonist, resulting in a modulation of immune responses related to auto-immune diseases. | [Biological Activity]
nibr189 is a small molecule antagonist of the epstein-barr virus-induced gene 2 (ebi2; gpr183) receptor with ic50 of 16 nm(binding) and 11 nm (functional). | [in vivo]
1.19 Pharmacokinetic Properties of NIBR189 in Mice[1]. | Mice
IV 1 mg/kg | Mice
PO 3 mg/kg | | CL (μL/min/mg) | 16 | | | t1/2 (h) | 1.1 | | | Vss (L/kg) | 1.4 | | | AUC (nmol·h/L) | 2435 | 3608 | | Cmax (nmol/L) | | 835 | | tmax (h) | | 1 | | F (%) | | 49 | |
| [storage]
Store at +4°C |
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