HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(dipropylcarbamothioyl)-3,4,5-trimethoxybenzamide → 2-(4-(4-((6-Amino-3-pyridinyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | N-(dipropylcarbamothioyl)-3,4,5-trimethoxybenzamide | HCID 12357717 | — |
| Reactant | (2S)-2-(4-(4-((6-amino-3-pyridinyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol | HCID 66582554 | — |
| Reactant | (2R)-2-(4-(4-((6-amino-3-pyridinyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol | HCID 66584917 | — |
| Product | 2-(4-(4-((6-Amino-3-pyridinyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol | HCID 66582313 | — |
Reaction Steps
(2S)-2-(4-(4-((6-amino-3-pyridinyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol and (2R)-2-(4-(4-((6-amino-3-pyridinyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol. 1H NMR (400 MHz, CD3OD) δ=8.30 (d, J=2.2 Hz, 1H), 7.74 (dd, J=2.4, 8.9 Hz, 1H), 7.46 (d, J=8.8 Hz, 2H), 6.95 (d, J=9.0 Hz, 2H), 6.64 (d, J=9.0 Hz, 1H), 3.30-3.24 (m, 4H), 3.18-3.08 (m, 4H), 1.68 (s, 3H). m/z (ESI, +ve ion) 431.1 (M+H)+. GK-GKRP IC50 (Binding)=0.359 μM; GK-GKRP EC50 (LC MS/MS-2)=0.605 μM.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08431563B2 |
| Source dataset | uspto-grants-2013_04 |
| ORD ID | ord-6d9c9b323eb74dedbd4b827540316284 |
| Source note | uspto-grants-2013_04 |