1. Primary Information
| English name: | dBET6 |
| CAS No.: | 1950634-92-0 |
| Molecular formula: | C42H45ClN8O7S |
| Molecular weight: | 841.4 g/mol |
| SMILES: | CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C |
| Structural class: | |
| Other identifiers: |
2-((9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo(8.3.0.02,6)trideca-2(6),4,7,10,12-pentaen-9-yl)-N-(8-((2-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl)oxyacetyl)amino)octyl)acetamide dBET6 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 192 | -20°C | in stock | - |
| Kehua Intelligence | 5mg | 98% | 576 | -20°C | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1024 | -20°C | in stock | - |
| Kehua Intelligence | 25mg | 98% | 2048 | -20°C | in stock | - |
| Kehua Intelligence | 50mg | 98% | 3840 | -20°C | in stock | - |
| Kehua Intelligence | 100mg | 98% | 6400 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]acetamide
4.2 InChI
InChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30?/m0/s1
4.3 InChIKey
JGQPZPLJOBHHBK-UFXYQILXSA-N
4.4 Canonical SMILES
CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C
4.5 Isomeric SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C
