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4-Amino-1-methylpiperidine → Tak-960
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|---|---|---|
| 反応物 | 4-Amino-1-methylpiperidine | HCID 2737531 | — |
| 反応物 | 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acid | HCID 25253679 | — |
| 生成物 | Tak-960 | HCID 53357478 | — |
反応手順
The title compound was synthesized from 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acid and 1-methylpiperidin-4-amine as described in the general procedure for amide bond synthesis. The final compound was purified by reverse phase HPLC and basified to give the free base. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.60-1.73 (m, 11H), 1.88-2.21 (m, 8H) 2.78 (br. s., 2H) 3.73 (br. s., 1H) 3.91 (s, 3H) 4.08 (t, J=13.8 Hz, 2H) 4.81 (d, J=8.1 Hz, 1H) 7.18 (d, J=6.6 Hz, 1H) 7.91 (br. s., 1H) 8.04 (s, 1H) 8.24 (d, J=13.4 Hz, 1H) 8.30 (s, 1H). [M+H] calc'd for C27H34F3N7O3, 562. found 562.
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 特許番号 | US08026234B2 |
| 出典データセット | uspto-grants-2011_09 |
| ORD ID | ord-b41c315b80794082aa6fd9d93a6ea706 |
| 出典メモ | uspto-grants-2011_09 |