SMU127

SMU127 is an agonist of the toll-like receptor 1/2 (TLR1/2) heterodimer. It induces NF-kappaB 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-alpha 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.Formal Name: 5,6-dihydro-2-[[(4-methyl-1-piperazinyl)carbonyl]amino]-4H-cyclopenta[b]thiophene-3-carboxylic acid, ethyl ester. CAS Number: 903864-87-9. Synonyms: ZINC666243. Molecular Formula: C16H23N3O3S. Formula Weight: 337.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 1 mg/ml, DMF:PBS (pH 7.2) (1:4): 0.20 mg/ml, DMSO: slightly soluble. lambdamax: 230, 251, 322 nm. SMILES: O=C(C1=C(NC(N2CCN(CC2)C)=O)SC3=C1CCC3)OCC. InChi Code: InChI=1S/C16H23N3O3S/c1-3-22-15(20)13-11-5-4-6-12(11)23-14(13)17-16(21)19-9-7-18(2)8-10-19/h3-10H2,1-2H3,(H,17,21). InChi Key: GPHILACXNMTZEE-UHFFFAOYSA-N.