HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 529585Generated: October 31, 2026
(4S,10aR)-4-aminohexahydropyrido[1,2-a][1,4]diazepine-1,5(2H,7H)-dione → (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((4R,10aR)-1,5-dioxodecahydropyrido[1,2-a][1,4]diazepin-4-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate
https://huagongshe.com/reaction/529585
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | (4S,10aR)-4-aminohexahydropyrido[1,2-a][1,4]diazepine-1,5(2H,7H)-dione | HCID 68310907 | — |
| Reactant | (2R,5R)-2,5-Dibenzyl-6-((4S,7S,10aS)-7-(methoxycarbonyl)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepin-4-ylamino)-6-oxohexanoic acid | HCID 68311179 | — |
| Product | (4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((4R,10aR)-1,5-dioxodecahydropyrido[1,2-a][1,4]diazepin-4-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate | HCID 86706246 | — |
Reaction Steps
(4S,7S,10aS)-Methyl 4-((2R,5R)-2,5-dibenzyl-6-((4R,10aR)-1,5-dioxodecahydropyrido[1,2-a][1,4]diazepin-4-ylamino)-6-oxohexanamido)-5-oxooctahydro-2H-pyrido[2,1-b][1,3]thiazepine-7-carboxylate was synthesized as described in General Procedure H using Intermediate 23 (20 mg, 0.035 mmol) and Intermediate 39 (7.0 mg, 0.035 mmol) to give a white solid (15 mg, 56% yield). Anal. Calcd. for C40H51N5O7S m/z 745.7. found: 746.5 (M+H)+; 1H NMR (400 MHz, DMSO-d6) δ ppm 7.92-7.70 (m, 3H), 7.29-7.02 (m, 7H), 5.67-5.52 (m, 1H), 5.09-4.91 (m, 2H), 4.36 (d, J=13.0 Hz, 1H), 3.83-3.75 (m, 1H), 3.73-3.64 (m, 1H), 3.64-3.52 (m, 4H), 3.22-2.98 (m, 2H), 2.82-2.61 (m, 4H), 2.60-2.34 (m, 8H), 2.18 (d, J=13.8 Hz, 1H), 2.09-1.88 (m, 2H), 1.86-1.73 (m, 2H), 1.71-1.15 (m, 12H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09346852B2 |
|---|
| Source dataset | uspto-grants-2016_05 |
|---|
| ORD ID | ord-46287cd6f3de439e92aa800f085f520d |
|---|
| Source note | uspto-grants-2016_05 |
|---|