
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 119625-78-4 |
| Catalog No. | 2A-9012648 |
| Chinese Name | 特拉吉仑 |
| Synonyms | Terlakiren (USAN/INN); 2ZS; MOR-PHE-CYM-NOR |
| Molecular Formula | C31H48N4O7S |
| Molecular Weight | 620.80 |
| Purity | 98.00 |
| Density | 1.205g/cm3 |
| Boiling Point | 908.3ºC at 760mmHg |
| Application | Trakiren (CP-80794) is an orally active renin inhibitor. Terlakiren inhibits the efficacy of human renin with an IC50 value of 0.7nM. Terlakiren has potential applications in hypertension [1]. |
| SMILES | CSCC(NC(=O)C(Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)C(O)C(=O)OC(C)C |
| InChI | InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1 |
| InChI Key | UZQBKCWYZBHBOW-YIPNQBBMSA-N |
| MSDS | msds/12648_1_119625_78_4.pdf |
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