| CAS |
No.363600-92-4 |
| 英文名称 |
TLR2-IN-C29 |
| 别名 |
C29 |
| 分子式 |
C16H15NO4 |
| 分子量 |
285.29 |
| 溶解性 |
Soluble in DMSO(Need ultrasonic) |
| 纯度 |
≥98% |
| 外观(性状) |
Solid |
| 储存条件 |
Powder:2-8℃，2 years;Insolvent(母液):-20℃，6 months;-80℃，1 year |
| MDL |
MFCD01248566 |
| SMILES |
CC1=C(C=CC=C1N=CC2=C(C(=CC=C2)OC)O)C(=O)O |
| InChIKey |
WTGMGRFVBFDHGQ-UHFFFAOYSA-N |
| InChI |
InChI=1S/C16H15NO4/c1-10-12(16(19)20)6-4-7-13(10)17-9-11-5-3-8-14(21-2)15(11)18/h3-9，18H，1-2H3，(H，19，20) |
| PubChem CID |
3579893 |
| 靶点 |
Toll-like Receptor (TLR2) |
| 通路 |
Immunology & Inflammation |
| 背景说明 |
C29 是一种 Toll-like receptor 2 (TLR2) 抑制剂。 |
| 生物活性 |
C29 is a Toll-like receptor 2 (TLR2) inhibitor. C29 blocks hTLR2/1 and hTLR2/6 signaling with IC50s of 19.7 and 37.6 μM， respectively[1]. |
| In Vitro |
In silico screening identified 149 compounds and 20 US Food and Drug Administration-approved drugs based on their predicted ability to bind in the BB loop pocket. These compounds were screened in HEK293T-TLR2 transfectants for the ability to inhibit TLR2-mediated IL-8 mRNA. C16H15NO4 (C29) was identified as a potential TLR2 Inhibitor. C29， and its derivative， ortho-vanillin (o-vanillin)， inhibited TLR2/1 and TLR2/6 signaling induced by synthetic and Bacterial TLR2 agonists in human HEK-TLR2 and THP-1 cells， but only TLR2/1 signaling in murine macrophages. C29 failed to inhibit signaling induced by Other TLR agonists and TNF-α. Mutagenesis of BB loop pocket residues revealed an indispensable role for TLR2/1， but not TLR2/6， signaling， suggesting divergent roles.[1]Western Blot Analysis[1]：Cell Line:THP-1 cells；Concentration:150 μM；Incubation Time:1 hours；Result:Diminished the interaction between endogenous TLR2 and myeloid differentiation primary response gene 88 (MyD88) at 15 and 30 min poststimulation with P3C.Western Blot Analysis[1]：Cell Line: Murine peritoneal macrophages；Concentration: 50 μM；Incubation Time: 1 hours；Result:Blocked robust MAPK activation at 30 min and reduced NF-κB activation from 5 to 30 min.Prevented P3C-induced degradation of IκBα at 15 and 30 min. |
| 数据来源文献 |
[1]. Mistry P， et al. Inhibition of TLR2 signaling by small molecule inhibitors targeting a pocket within the TLR2 TIR domain. Proc Natl Acad Sci U S A. 2015 Apr 28;112(17):5455-60.
[2]. Cai S， Zhu G， Cen X， et al. Synthesis， structure-activity relationships and preliminary mechanism study of N-benzylideneaniline derivatives as potential TLR2 inhibitors. Bioorg Med Chem. 2018;26(8):2041-2050. |
| 规格 |
1mg 5mg 10mg 50mg |
| 单位 |
瓶 |
中文
英语
说明书下载
京公网安备 11011202000391号