2-[(2-Oxo-2-{4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl}ethyl)sulfanyl]acetic acid (CHEM060508)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 02:49:50 UTC | ||||||||
| Update Date | 2026-04-03 02:49:50 UTC | ||||||||
| Accession Number | CHEM060508 | ||||||||
| Identification | |||||||||
| Common Name | 2-[(2-Oxo-2-{4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl}ethyl)sulfanyl]acetic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[(2-Oxo-2-{4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl}ethyl)sulfanyl]acetic acid belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It is an organic nitrogen compound with the chemical formula C14H17F3N4O3S1. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C14H17F3N4O3S1 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 378.097 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[2-oxo-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]ethyl]sulfanylacetic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C14H17F3N4O3S/c15-14(16,17)10-2-3-18-13(19-10)21-5-1-4-20(6-7-21)11(22)8-25-9-12(23)24/h2-3H,1,4-9H2,(H,23,24) | ||||||||
| InChI Key | SUCWPEPAYNPBKK-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 | ||||||||
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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 | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
