
CAS Number850876-88-9
SynonymsDanoprevir; (2R,6S)-2,6-dimethyl-4-(4piperidinyl) morpholine; 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid; Danoprevir (ITMN-191); (2R,6S)-(2,6-dimethylmorpholin-4-yl)acetic acid,hydrochloride; (2,6-dimethylmorpholin-4-yl)acetic acid hydrochloride; RG7227
Molecular FormulaC35H46O9N5S1F1
Molecular Weight731.84
Density1.4±0.1 g/cm3
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 850876-88-9 |
| Catalog No. | 2A-2187149 |
| Chinese Name | 丹诺普韦 |
| Synonyms | Danoprevir; (2R,6S)-2,6-dimethyl-4-(4piperidinyl) morpholine; 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid; Danoprevir (ITMN-191); (2R,6S)-(2,6-dimethylmorpholin-4-yl)acetic acid,hydrochloride; (2,6-dimethylmorpholin-4-yl)acetic acid hydrochloride; RG7227 |
| Molecular Formula | C35H46O9N5S1F1 |
| Molecular Weight | 731.84 |
| Density | 1.4±0.1 g/cm3 |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | Danoprevir is a peptide mimetic inhibitor that inhibits HCV NS3/4A protease with an IC50 value of 0.2-3.5 nM. |
| PubChem ID | 16372451 |
| MDL Number | MFCD16038038 |
| SMILES | CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O |
| InChI | InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1 |
| InChI Key | ZVTDLPBHTSMEJZ-ZVROSQLSSA-N |
| Transport Info | Product name: Danoprevir (ITMN-191) |
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