Simurosertib (CHEM133774)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 20:44:47 UTC | ||||||||
| Update Date | 2026-05-14 19:57:42 UTC | ||||||||
| Accession Number | CHEM133774 | ||||||||
| Identification | |||||||||
| Common Name | Simurosertib | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H19N5OS | ||||||||
| Average Molecular Mass | 341.430 g/mol | ||||||||
| Monoisotopic Mass | 341.131 g/mol | ||||||||
| CAS Registry Number | 1330782-76-7 | ||||||||
| IUPAC Name | 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(3-methyl-1H-pyrazol-4-yl)-3H,4H-thieno[3,2-d]pyrimidin-4-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NNC=C1C1=CC2=C(S1)C(=O)NC(=N2)[C@@H]1CC2CCN1CC2 | ||||||||
| InChI Identifier | InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1 | ||||||||
| InChI Key | XGVXKJKTISMIOW-ZDUSSCGKSA-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 | ||||||||
