TBAJ-587 (CHEM141636)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-05-14 21:03:51 UTC | ||||||||
| Update Date | 2026-08-22 10:13:51 UTC | ||||||||
| Accession Number | CHEM141636 | ||||||||
| Identification | |||||||||
| Common Name | TBAJ-587 | ||||||||
| Class | Small Molecule | ||||||||
| Description | TBAJ-587 belongs to the quinolones and derivatives, a subclass of quinolines and derivatives within the organic compounds. It has the chemical formula C30H33BrFN3O5. With an average molecular weight of 614.51 g/mol, TBAJ-587 is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C30H33BrFN3O5 | ||||||||
| Average Molecular Mass | 614.512 g/mol | ||||||||
| Monoisotopic Mass | 613.159 g/mol | ||||||||
| CAS Registry Number | 2252316-16-6 | ||||||||
| IUPAC Name | (1S,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=CC(=CC(OC)=N1)[C@](O)(CCN(C)C)[C@H](C1=CC=CC(OC)=C1F)C1=CC2=CC(Br)=CC=C2N=C1OC | ||||||||
| InChI Identifier | InChI=1S/C30H33BrFN3O5/c1-35(2)13-12-30(36,19-16-25(38-4)34-26(17-19)39-5)27(21-8-7-9-24(37-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)40-6/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30+/m0/s1 | ||||||||
| InChI Key | JJEGOJPMKLRSPJ-POURPWNDSA-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 | ||||||||
