HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529634Generated: October 30, 2026
(4S,7S,10aS)-4-amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carbonitrile → (2R,5S)-N1-((4S,7S,10aS)-7-Cyano-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-2-(4-fluorobenzyl)-N6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)-5-propylhexanediamide
https://huagongshe.com/reaction/529634
Participants
| Role | Name | HCID | Charge |
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| Reactant | (4S,7S,10aS)-4-amino-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carbonitrile | HCID 68292315 | — |
| Reactant | (2R,5S)-2-(4-Fluorobenzyl)-5-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-ylcarbamoyl)octanoic acid | HCID 68311019 | — |
| Product | (2R,5S)-N1-((4S,7S,10aS)-7-Cyano-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-2-(4-fluorobenzyl)-N6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)-5-propylhexanediamide | HCID 86706264 | — |
Reaction Steps
(2R,5S)—N1-((4S,7S,10aS)-7-Cyano-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-yl)-2-(4-fluorobenzyl)-N6-((S)-1-(2-methoxyphenyl)-2-oxoazepan-3-yl)-5-propylhexanediamide was synthesized as described in General Procedure H using Intermediate 76 (8.5 mg, 0.017 mmol) and Intermediate 36 (5.0 mg, 0.019 mmol) to give a white solid (5.9 mg, 49% yield). Anal. Calcd. for C39H50FN5O5S m/z 719.7. found: 720.3 (M+H)+; 1H NMR (400 MHz, CDCl3) δ ppm 7.37 (1H, d, J=6.6 Hz), 7.33-7.25 (1H, m), 7.09-7.02 (3H, m), 7.01-6.94 (3H, m), 6.86 (2H, t, J=8.8 Hz), 5.54-5.32 (3H, m), 5.29 (1H, d, J=4.9 Hz), 5.06-4.86 (2H, m), 4.04-3.89 (1H, m), 3.83 (3H, s), 3.54-3.35 (1H, m), 3.10-2.88 (1H, m), 2.80-2.54 (3H, m), 2.41-2.29 (1H, m), 2.21-1.18 (21H, m), 0.93-0.82 (3H, m).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09346852B2 |
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| Source dataset | uspto-grants-2016_05 |
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| ORD ID | ord-fe9cf815dc2b4cb087a2e2735ac44307 |
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| Source note | uspto-grants-2016_05 |
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