JAK4D (CHEM135775)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 22:16:42 UTC | ||||||||
| Update Date | 2026-05-14 20:08:39 UTC | ||||||||
| Accession Number | CHEM135775 | ||||||||
| Identification | |||||||||
| Common Name | JAK4D | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C34H40N8O8 | ||||||||
| Average Molecular Mass | 688.742 g/mol | ||||||||
| Monoisotopic Mass | 688.297 g/mol | ||||||||
| CAS Registry Number | 882400-49-9 | ||||||||
| IUPAC Name | (3S)-4-[(2S)-2-{[(1R)-1-{[(1R)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxo-3-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(N)=O | ||||||||
| InChI Identifier | InChI=1S/C34H40N8O8/c35-28(44)16-26(41-31(47)23-11-12-29(45)38-23)34(50)42-13-3-6-27(42)33(49)40-25(14-18-7-9-20(43)10-8-18)32(48)39-24(30(36)46)15-19-17-37-22-5-2-1-4-21(19)22/h1-2,4-5,7-10,17,23-27,37,43H,3,6,11-16H2,(H2,35,44)(H2,36,46)(H,38,45)(H,39,48)(H,40,49)(H,41,47)/t23-,24+,25+,26-,27+/m0/s1 | ||||||||
| InChI Key | SZQSOKVXBMULDL-VQHLWIOESA-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 | ||||||||
