1252637-46-9
Chemical Structure
RO5461111
- CAS No.: 1252637-46-9
- Formula:C27H24F6N4O4S
- Molecular Weight:614.56
IUPAC Name: (2S,4R)-N-(1-cyanocyclopropyl)-4-((4-(2-methylpyridin-4-yl)-2-(trifluoromethyl)phenyl)sulfonyl)-1-(1-(trifluoromethyl)cyclopropane-1-carbonyl)pyrrolidine-2-carboxamide
InChIKey: CDBYZSRUFZXRLK-QUCCMNQESA-N
SMILES: O=C([C@H]1N(C(C2(C(F)(F)F)CC2)=O)C[C@H](S(=O)(C3=CC=C(C4=CC(C)=NC=C4)C=C3C(F)(F)F)=O)C1)NC5(C#N)CC5
Biological Activity: RO5461111 a highly specific and orally active antagonist of Cathepsin S with IC50s of 0.4 nM (human Cathepsin S) and 0.5 nM (murine Cathepsin S), respectively. RO5461111 can effectively inhibit the activation of antigen-specific T cells and B cells. RO5461111 can improve pulmonary inflammation and lupus nephritis[1][2].
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RO5461111 | 98.01% | RO5461111 a highly specific and orally active antagonist of Cathepsin S with IC50s of 0.4 nM (human Cathepsin S) and 0.5 nM (murine Cathepsin S), respectively. RO5461111 can effectively inhibit the activation of antigen-specific T cells and B cells. RO5461111 can improve pulmonary inflammation and lupus nephritis. | ||||||||||||||||||||
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- [1]. Rupanagudi KV, et al. Cathepsin S inhibition suppresses systemic lupus erythematosus and lupus nephritis because cathepsin S is essential for MHC class II-mediated CD4 T cell and B cell priming. Ann Rheum Dis. 2015 Feb;74(2):452-63. [Content Brief]
- [2]. Sanchez RA, et al. Preparation of proline dipeptidyl nitrile derivatives as cathepsin, particularly cathepsin S and L, inhibitors: United States, US20100267722. 2010-10-21.
Keywords