IL-17A antagonist 1

• CAT Number: I019971
• CAS Number: 2205034-18-8
• Molecular Formula: C33H41FN6O4
• Molecular Weight: 604.71
• Purity: ≥95%
• Synonyms: N-[(2S)-1-[4-[2-[[2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]amino]ethyl]anilino]-3-(2-fluorophenyl)-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
• InChI: InChI=1S/C33H41FN6O4/c1-39(2)30(42)22-33(16-6-7-17-33)21-29(41)35-18-14-23-10-12-25(13-11-23)37-31(43)27(20-24-8-4-5-9-26(24)34)38-32(44)28-15-19-36-40(28)3/h4-5,8-13,15,19,27H,6-7,14,16-18,20-22H2,1-3H3,(H,35,41)(H,37,43)(H,38,44)/t27-/m0/s1
• InChIKey: VWRXSIAIHJZTCV-MHZLTWQESA-N
• SMILES: CN1C(=CC=N1)C(=O)NC(CC2=CC=CC=C2F)C(=O)NC3=CC=C(C=C3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C

IL-17A antagonist 1 (compound 1) is an IL-17A antagonist, with a Kd of 0.66 μM and an IC50 of 1.14 μM[1].

Reference

[1]. Liu S, et al. Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists. Sci Rep. 2016 Aug 16;6:30859.
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