HuagongsheHuagongshe Chemistry Print Report · For research reference only
(4S,7S,10aS)-4-amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carbonitrile → (2R,5R)-2,5-Dibenzyl-N1-((4S,7S,10aS)-7-cyano-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-N6-((S)-2-oxo-1-o-tolylazepan-3-yl)hexanediamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | (4S,7S,10aS)-4-amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carbonitrile | HCID 68292315 | — |
| Reactant | (2R,5R)-2,5-Dibenzyl-6-oxo-6-((S)-2-oxo-1-o-tolylazepan-3-ylamino)hexanoic acid | HCID 68292933 | — |
| Product | (2R,5R)-2,5-Dibenzyl-N1-((4S,7S,10aS)-7-cyano-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-N6-((S)-2-oxo-1-o-tolylazepan-3-yl)hexanediamide | HCID 86706263 | — |
Reaction Steps
(2R,5R)-2,5-Dibenzyl-N1-((4S,7S,10aS)-7-cyano-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-N6-((S)-2-oxo-1-o-tolylazepan-3-yl)hexanediamide was synthesized as described in General Procedure H using Intermediate 71 (10 mg, 0.019 mmol) and Intermediate 36 (5.2 mg, 0.020 mmol) to give a white solid (8.0 mg, 57% yield). Anal. Calcd. for C43H51N5O4S m/z 733.7. found: 734.3 (M+H)+; 1H NMR (400 MHz, CDCl3) (Rotamers) δ ppm 7.39-6.79 (16H, m), 5.35 (1H, d, J=3.8 Hz), 5.24 (1H, d, J=4.9 Hz), 5.02-4.90 (1H, m), 4.87-4.77 (1H, m), 4.07-3.88 (1H, m), 3.58-3.29 (1H, m), 3.02-2.86 (1H, m), 2.85-2.70 (4H, m), 2.66-2.36 (3H, m), 2.21-2.09 (5H, m), 2.05-1.47 (14H, m), 1.46-1.15 (2H, m).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09346852B2 |
| Source dataset | uspto-grants-2016_05 |
| ORD ID | ord-d16b5d98d45f4ca2a7df96fcc71b2d79 |
| Source note | uspto-grants-2016_05 |