Cintirorgon (CHEM137253)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-15 17:40:49 UTC | ||||||||
| Update Date | 2026-08-22 07:15:04 UTC | ||||||||
| Accession Number | CHEM137253 | ||||||||
| Identification | |||||||||
| Common Name | Cintirorgon | ||||||||
| Class | Small Molecule | ||||||||
| Description | Cintirorgon is an organic compound with the chemical formula C27H23F6NO6S. Cintirorgon belongs to the benzoxazines, a class of organoheterocyclic compounds within the organic compounds. With an average molecular weight of 603.53 g/mol, Cintirorgon is a heavy molecule. Regarding its biological activity, one protein target has been recorded for this compound, as it acts as an agonist of the nuclear receptor ROR-gamma (RORC). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H23F6NO6S | ||||||||
| Average Molecular Mass | 603.530 g/mol | ||||||||
| Monoisotopic Mass | 603.115 g/mol | ||||||||
| CAS Registry Number | 2055536-64-4 | ||||||||
| IUPAC Name | 3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(C[C@H]1CN(C2=C(O1)C=CC(=C2)C1=CC(OC(F)F)=CC(F)=C1)S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)C(O)=O | ||||||||
| InChI Identifier | InChI=1S/C27H23F6NO6S/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30/h3-12,20,25H,13-14H2,1-2H3,(H,35,36)/t20-/m0/s1 | ||||||||
| InChI Key | GULSIMHVQYBADX-FQEVSTJZSA-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 | ||||||||
