1. Primary Information
| English name: | Protein degrader 1 TFA |
| CAS No.: | 1631137-51-3 |
| Molecular formula: | C24H31F3N4O5S |
| Molecular weight: | 544.6 g/mol |
| SMILES: | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)N)O.C(=O)(C(F)(F)F)O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 640 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 1920 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 3200 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 5600 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 9600 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
4.2 InChI
InChI=1S/C22H30N4O3S.C2HF3O2/c1-13-18(30-12-25-13)15-7-5-14(6-8-15)10-24-20(28)17-9-16(27)11-26(17)21(29)19(23)22(2,3)4;3-2(4,5)1(6)7/h5-8,12,16-17,19,27H,9-11,23H2,1-4H3,(H,24,28);(H,6,7)/t16-,17+,19-;/m1./s1
4.3 InChIKey
SGNZARGJXDPTDJ-MSSRUXLCSA-N
4.4 Canonical SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)N)O.C(=O)(C(F)(F)F)O
4.5 Isomeric SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)N)O.C(=O)(C(F)(F)F)O
