Rolafagrel (CHEM123056)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-06 10:59:18 UTC | ||||||||
| Update Date | 2026-08-19 04:43:42 UTC | ||||||||
| Accession Number | CHEM123056 | ||||||||
| Identification | |||||||||
| Common Name | Rolafagrel | ||||||||
| Class | Small Molecule | ||||||||
| Description | Rolafagrel is an organic compound with the formula C14H12N2O2 and an average molecular weight of 240.26 g/mol. Rolafagrel belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. In terms of its chemical classification, it is further categorized as a benzenoid. Regarding its biological activity, one protein target has been recorded for this compound, which acts as an inhibitor of Thromboxane-A synthase (TBXAS1). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C14H12N2O2 | ||||||||
| Average Molecular Mass | 240.262 g/mol | ||||||||
| Monoisotopic Mass | 240.090 g/mol | ||||||||
| CAS Registry Number | 89781-55-5 | ||||||||
| IUPAC Name | 7-imidazol-1-yl-5,6-dihydronaphthalene-2-carboxylic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OC(=O)C1=CC=C2CCC(=CC2=C1)N1C=CN=C1 | ||||||||
| InChI Identifier | InChI=1S/C14H12N2O2/c17-14(18)11-2-1-10-3-4-13(8-12(10)7-11)16-6-5-15-9-16/h1-2,5-9H,3-4H2,(H,17,18) | ||||||||
| InChI Key | DQEDSIVMYUUZCK-UHFFFAOYSA-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 | ||||||||
