HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cyclopropylamine → HCID 25254939, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Cyclopropylamine | HCID 69828 | — |
| 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 | 4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acid | HCID 25253680 | — |
| Product | HCID 25254939 | HCID 25254939 | — |
Reaction Steps
The title compound was synthesized from 4-(9-cyclohexyl-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 cyclopropylamine. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 0.50-0.61 (m, 2 H) 0.70 (dd, J=7.07, 2.27 Hz, 2 H) 1.31-1.48 (m, 2 H) 1.51-1.70 (m, 4 H) 1.71-1.91 (m, 4 H) 2.81 (dt, J=7.14, 3.63 Hz, 1 H) 3.17 (s, 3 H) 3.93 (s, 3 H) 4.03 (q, J=7.07 Hz, 2 H) 4.46 (t, J=11.62 Hz, 1 H) 7.40-7.55 (m, 2 H) 7.90 (s, 1 H) 8.21 (s, 1 H) 8.26 (d, J=8.34 Hz, 1 H) 8.37 (d, J=3.79 Hz, 1 H). [M+H] C25H30F2N6O3 calc'd for, 501; found 501.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08318727B2 |
| Source dataset | uspto-grants-2012_11 |
| ORD ID | ord-167848f9137a4a66acb996fca75a5988 |
| Source note | uspto-grants-2012_11 |