HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2R,5R)-2,5-dibenzyl-6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanoic acid → (2R,5R)-2,5-Dibenzyl-N1-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)-N6-((4S,8S,10aS)-5-oxo-8-(trifluoromethyl)octahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)hexanediamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | (2R,5R)-2,5-dibenzyl-6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-ylamino)-6-oxohexanoic acid | HCID 68310532 | — |
| Reactant | (4S,8S,10aS)-4-amino-8-(trifluoromethyl)hexahydro-2H-pyrido[2,1-b][1,3]thiazepin-5(7H)-one | HCID 86706221 | — |
| Product | (2R,5R)-2,5-Dibenzyl-N1-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)-N6-((4S,8S,10aS)-5-oxo-8-(trifluoromethyl)octahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)hexanediamide | HCID 86706261 | — |
Reaction Steps
(2R,5R)-2,5-Dibenzyl-N1-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)-N6-((4S,8S,10aS)-5-oxo-8-(trifluoromethyl)octahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)hexanediamide was synthesized as described in General Procedure H using Intermediate 70 (8.5 mg, 0.016 mmol) and Intermediate 60 (3.5 mg, 0.013 mmol) to give a white solid (7.6 mg, 74% yield). Anal. Calcd. for C43H51F3N4O5S m/z 792.7. found: 793.6 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.38-7.03 (m, 11H), 7.04-6.82 (m, 3H), 5.12 (t, J=7.3 Hz, 1H), 4.90-4.64 (m, 2H), 4.35 (d, J=14.8 Hz, 1H), 3.98 and 3.82 (2s, 3H), 3.97-3.84 (m, 1H), 3.27 (dd, J=14.8, 6.6 Hz, 6H), 2.95-2.53 (m, 5H), 2.48-2.30 (m, 2H), 2.26-2.14 (m, 1H), 2.04-1.15 (m, 15H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09346852B2 |
| Source dataset | uspto-grants-2016_05 |
| ORD ID | ord-121d2ccdc92e44e3b82f49a1ff177e53 |
| Source note | uspto-grants-2016_05 |