SMU127

Name: SMU127
CAS#: 903864-87-9
Chemical Formula: C16H23N3O3S
Exact Mass: 337.146
Molecular Weight: 337.44
Elemental Analysis: C, 56.95; H, 6.87; N, 12.45; O, 14.22; S, 9.50

Description: 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.

IUPAC/Chemical Name: Ethyl 2-(4-methylpiperazine-1-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

InChi Key: GPHILACXNMTZEE-UHFFFAOYSA-N

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)

SMILES Code: O=C(C1=C(NC(N2CCN(C)CC2)=O)SC3=C1CCC3)OCC

Appearance: Solid powder