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 25252766, 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 | HCID 57955631 | HCID 57955631 | — |
| Reactant | 1-Methylazetidin-3-amine xhydrochloride | HCID 67050583 | — |
| Product | HCID 25252766 | HCID 25252766 | — |
Reaction Steps
The title compound was synthesized from 4-(9-cyclopentyl-7-fluoro-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid as described in the General procedure for amide bond synthesis using HATU and 1-methylazetidin-3-amine hydrochloride. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.44-1.65 (m, 5H) 1.65-1.88 (m, 4H) 1.88-2.01 (m, 1H) 2.92 (dd, J=4.7, 2.4 Hz, 3H) 3.28 (s, 3H) 3.95 (s, 3H) 4.01-4.25 (m, 2H) 4.31-4.55 (m, 2H) 4.64-4.89 (m, 2H) 7.44-7.63 (m, 2H) 8.21 (d, J=8.3 Hz, 1H) 8.18 (s, 1H) 8.97-9.09 (m, 1H) 9.78 (br. s., 1H). [M+H] calc'd for C26H34FN7O3, 512. found 512.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08026234B2 |
| Source dataset | uspto-grants-2011_09 |
| ORD ID | ord-297399f9d7884111919a14d99eaf4aa1 |
| Source note | uspto-grants-2011_09 |