Ensemble Compound 159
- Optical Purity: Optically pure
- MF: C42H51ClN6O6
- MW: 771.34
Description
Ensemble Compound 159 is a peptide inhibitor of IL-17A. Ensemble Compound 159 binds to IL-17A and/or inhibits formation of the IL-17A–IL-17RA complex through an ELISA assay, an HT29-GROα cell based functional assay, a rheumatoid arthritis synovial fibroblast (RASF) assay, and surface plasmon resonance (SPR, Kd < 100 nM) based biophysical binding assessment. Moreover, Ensemble Compound 159 was reported to have efficacy in vivo.
More Information
| Parent CAS No. | 1449208-36-9 |
|---|---|
| Chemical Name | (2S)-3-(2-chlorophenyl)-2-(2-phenylacetamido)-N-(4-(((9R)-7,10,13,21-tetraoxo-8,11,14,20-tetraazaspiro[4.17]docosan-9-yl)methyl)phenyl)propanamide |
| SMILES | C1(CC(=O)N[C@@H](CC2C(Cl)=CC=CC=2)C(=O)NC2C=CC(C[C@H]3NC(=O)CC4(CCCC4)CC(=O)NCCCCCNC(=O)CNC3=O)=CC=2)C=CC=CC=1 |&1:5,22,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C42H51ClN6O6/c43-33-14-6-5-13-31(33)25-35(48-36(50)24-29-11-3-1-4-12-29)41(55)47-32-17-15-30(16-18-32)23-34-40(54)46-28-39(53)45-22-10-2-9-21-44-37(51)26-42(19-7-8-20-42)27-38(52)49-34/h1,3-6,11-18,34-35H,2,7-10,19-28H2,(H,44,51)(H,45,53)(H,46,54)(H,47,55)(H,48,50)(H,49,52)/t34-,35+/m1/s1 |
| InChiKey | HSTNEKZTSOZTDI-GPOMZPHUSA-N |
| CID | 117810400 |
| Short Description | IL-17A inhibitor |
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