| Identification | Back Directory | [Name]
ethyl 2-(4-methylpiperazine-1-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate | [CAS]
903864-87-9 | [Synonyms]
SMU127
ethyl 2-(4-methylpiperazine-1-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate | [Molecular Formula]
C16H23N3O3S | [MOL File]
903864-87-9.mol | [Molecular Weight]
337.44 |
| Chemical Properties | Back Directory | [Boiling point ]
555.5±50.0 °C(Predicted) | [density ]
1.297±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C | [solubility ]
DMF: 1 mg/ml,DMF:PBS (pH 7.2) (1:4): 0.20 mg/ml,DMSO: slightly soluble | [form ]
A crystalline solid | [pka]
14.00±0.20(Predicted) |
| Hazard Information | Back Directory | [Uses]
SMU127 is an agonist of the toll-like receptor 1/2 (TLR1/2) heterodimer. It induces NF-κB signaling in cells expressing human TLR2 (EC50=0.55 μM) but not cells expressing human TLR3, -4, -5, -7, or -8 when used at concentrations ranging from 0.1 to 100 μM. SMU127 induces the production of TNF-α in isolated human peripheral blood mononuclear cells (PBMCs) when used at concentrations ranging from 0.01 to 1 μM. In vivo, SMU127 (0.1 mg/animal) reduces tumor volume in a 4T1 murine mammary carcinoma model. | [storage]
-20°C | [References]
[1] Chen, et al. Structure-based discovery of a specific TLR1-TLR2 small molecule agonist from the ZINC drug library database. Chem. Commun. (Camb.) 54(81), 11411-11414 (2018). |
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