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Rupintrivir
- AG7088
- Optical Purity: Optically pure
- Soluble in DMSO
- MF: C31H39FN4O7
- MW: 598.66
Description
More Information
| Parent CAS No. | 223537-30-2 |
|---|---|
| Chemical Name | (E)-(S)-4-{(2R,5S)-2-(4-Fluoro-benzyl)-6-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-heptanoylamino}-5-((S)-2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester |
| SMILES | C1(=NOC(C)=C1)C(=O)N[C@@H](C(C)C)C(=O)C[C@@H](CC1C=CC(F)=CC=1)C(=O)N[C@H](/C=C/C(=O)OCC)C[C@H]1C(=O)NCC1 |&1:9,16,28,37,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1 |
| InChiKey | CAYJBRBGZBCZKO-BHGBQCOSSA-N |
| CID | 6440352 |
| Short Description | HCV 3C inhibitor |
References
- G Witherell. AG-7088 Pfizer. Curr. Opin. Investig. Drugs. 2000, 1(3), 297-302.
- AG-7088. Drugs Fut. 2000, 25, 1, 9
- ST Worland et al. Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 3. Structure-activity studies of ketomethylene-containing peptidomimetics. J. Med. Chem. 1999, 42,(7), 1203.
- SL Binford et al. In Vitro Resistance Study of Rupintrivir, a Novel Inhibitor of Human Rhinovirus 3C Protease. ANTIMICROB. AGENTS CHEMOTHER. 2007, 51(12), 4366–4373.
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