An agonist of TLR1/2
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SMU127

Item No. 33147

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
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
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 1 mg/mlDMF:PBS (pH 7.2) (1:4): 0.20 mg/mlDMSO: slightly soluble
λmax
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
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    500 µg

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    Cayman Chemical
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    Product Description

    SMU127 is an agonist of the toll-like receptor 1/2 (TLR1/2) heterodimer.1 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.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Chen, Z., Cen, X., Yang, J., 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).