1. Primary Information
| English name: | JTE 607 dihydrochloride |
| CAS No.: | 188791-09-5 |
| Molecular formula: | C25H33Cl4N3O5 |
| Molecular weight: | 597.4 g/mol |
| SMILES: | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2O)Cl)OCCN3CCN(CC3)C)Cl.Cl.Cl |
| Structural class: | |
| Other identifiers: |
(-)-ethyl N-(3,5-dichloro-2-hydroxy-4-(2-(4-methylpiperazin-1-yl))ethoxybenzoyl)-L-phenylamine dihydrochloride JTE 607 JTE-607 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 520 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 800 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 1600 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 2800 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 4800 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
ethyl (2S)-2-[[3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]amino]-3-phenylpropanoate;dihydrochloride
4.2 InChI
InChI=1S/C25H31Cl2N3O5.2ClH/c1-3-34-25(33)20(15-17-7-5-4-6-8-17)28-24(32)18-16-19(26)23(21(27)22(18)31)35-14-13-30-11-9-29(2)10-12-30;;/h4-8,16,20,31H,3,9-15H2,1-2H3,(H,28,32);2*1H/t20-;;/m0../s1
4.3 InChIKey
JUJAUEQJEWIWCQ-FJSYBICCSA-N
4.4 Canonical SMILES
CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2O)Cl)OCCN3CCN(CC3)C)Cl.Cl.Cl
4.5 Isomeric SMILES
CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2O)Cl)OCCN3CCN(CC3)C)Cl.Cl.Cl
