HuagongsheHuagongshe Chemistry Print Report · For research reference only
(1R,2R,3S,4R,5S)-4-(2-Chloro-6-(3-(5-(1-(4-fluoro-3-nitrophenyl)-1H-1,2,3-triazol-4-yl)pent-1-ynyl)benzylamino)-9H-purin-9-yl)-bicyclo[3.1.0]hexane-2,3-diol → HCID 86672498, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | (1R,2R,3S,4R,5S)-4-(2-Chloro-6-(3-(5-(1-(4-fluoro-3-nitrophenyl)-1H-1,2,3-triazol-4-yl)pent-1-ynyl)benzylamino)-9H-purin-9-yl)-bicyclo[3.1.0]hexane-2,3-diol | HCID 86672494 | — |
| Reactant | (1R,2R,3S,4R,5S)-4-(2-Chloro-6-(3-(nona-1,8-diynyl)benzylamino)-9H-purin-9-yl) bicyclo[3.1.0]hexane-2,3-diol | HCID 86672499 | — |
| Product | HCID 86672498 | HCID 86672498 | 91% |
Reaction Steps
Compound 216 (91%) was synthesized from compound 213 following the same procedure as for compound 214. 1H NMR (CD3OD, 400 MHz) δ 8.56-8.54 (m, 1H), 8.40 (s, 1H), 8.13-8.18 (m, 2H), 7.60 (t, J=8.8 Hz, 1H), 7.37 (s, 1H), 7.30 (d, J=6.8 Hz, 1H), 7.24-7.21 (m, 2H), 4.79 (s, 1H), 4.72-4.69 (m, 3H), 3.90 (d, J=6.4 Hz, 1H), 2.84 (t, J=7.2 Hz, 2H), 2.45 (t, J=6.8 Hz, 2H), 2.01-1.95 (m, 1H), 1.86-1.79 (m, 2H), 1.68-1.58 (m, 5H), 1.33-1.30 (m, 1H), 0.82-0.72 (m, 1H). HRMS calculated for C33H32ClFN9O4 (M+H)+: 672.2250. Found 672.2245.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08518957B2 |
| Source dataset | uspto-grants-2013_08 |
| ORD ID | ord-2ce9a787ff904915a24e5f6dc051cd22 |
| Source note | uspto-grants-2013_08 |