ESK981 (CHEM135419)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 21:59:09 UTC | ||||||||
| Update Date | 2026-05-14 20:07:13 UTC | ||||||||
| Accession Number | CHEM135419 | ||||||||
| Identification | |||||||||
| Common Name | ESK981 | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C35H35N7O4S | ||||||||
| Average Molecular Mass | 649.770 g/mol | ||||||||
| Monoisotopic Mass | 649.247 g/mol | ||||||||
| CAS Registry Number | 856691-93-5 | ||||||||
| IUPAC Name | 19-methyl-3-(2-methylpropyl)-7-[(pyrimidin-2-yl)amino]-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one; 4-methylbenzene-1-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC=C(C=C1)S(O)(=O)=O.CC(C)CN1C2=C(C=C(NC3=NC=CC=N3)C=C2)C2=C1C1=C(C3=CN(C)N=C3CC1)C1=C2CNC1=O | ||||||||
| InChI Identifier | InChI=1S/C28H27N7O.C7H8O3S/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32);2-5H,1H3,(H,8,9,10) | ||||||||
| InChI Key | OCCDXAYTEKPNMM-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 | ||||||||
