Petesicatib (CHEM132977)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 20:13:13 UTC | ||||||||
| Update Date | 2026-08-22 04:52:57 UTC | ||||||||
| Accession Number | CHEM132977 | ||||||||
| Identification | |||||||||
| Common Name | Petesicatib | ||||||||
| Class | Small Molecule | ||||||||
| Description | Petesicatib is an organic compound with the chemical formula C25H23F6N5O4S. Petesicatib belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 603.54 g/mol, Petesicatib is a heavy molecule. Regarding its biological activity, Petesicatib acts as an antagonist of the protein target Cathepsin S (CTSS). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C25H23F6N5O4S | ||||||||
| Average Molecular Mass | 603.540 g/mol | ||||||||
| Monoisotopic Mass | 603.137 g/mol | ||||||||
| CAS Registry Number | 1252637-35-6 | ||||||||
| IUPAC Name | (2S,4R)-N-(1-cyanocyclopropyl)-4-[4-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonyl]-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CN1C=C(C=N1)C1=CC(=C(C=C1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F | ||||||||
| InChI Identifier | InChI=1S/C25H23F6N5O4S/c1-35-11-15(10-33-35)14-2-3-19(17(8-14)24(26,27)28)41(39,40)16-9-18(20(37)34-22(13-32)4-5-22)36(12-16)21(38)23(6-7-23)25(29,30)31/h2-3,8,10-11,16,18H,4-7,9,12H2,1H3,(H,34,37)/t16-,18+/m1/s1 | ||||||||
| InChI Key | KXAAIORSMACJSI-AEFFLSMTSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
