HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → HCID 25253223, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| Reactant | 882562-53-0 | HCID 18071178 | — |
| Reactant | 4-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid | HCID 25252905 | — |
| Product | HCID 25253223 | HCID 25253223 | — |
Reaction Steps
The title compound was synthesized from 4-(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid as described in the General procedure for amide bond synthesis using HATU and 2-(4-aminopiperidin-1-yl)-N-methylacetamide. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.51-1.86 (m, 11H) 1.95 (d, J=4.29 Hz, 2H) 2.15 (t, J=10.61 Hz, 2H) 2.62 (s, 3H) 2.81 (d, J=11.37 Hz, 2H) 2.90 (s, 2H) 3.33 (s, 3H) 3.94 (s, 3H) 4.05 (t, J=14.02 Hz, 2H) 4.77 (t, J=8.46 Hz, 1H) 7.43-7.53 (m, 2H) 7.57-7.69 (m, 1H) 7.97 (s, 1H) 8.14 (d, J=7.58 Hz, 1H) 8.20-8.35 (m, 2H) [M+H] calc'd for C29H38F2N8O4, 601. found 601.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08026234B2 |
| Source dataset | uspto-grants-2011_09 |
| ORD ID | ord-6bffaa396f74420cbbe1b57edf2ad346 |
| Source note | uspto-grants-2011_09 |