HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(dipropylcarbamothioyl)-3,4,5-trimethoxybenzamide → (2S)-2-(4-(4-((5-amino-2-thiophenyl)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 | (2R)-2-(4-(4-((5-amino-2-thiophenyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol | HCID 66582429 | — |
| Product | (2S)-2-(4-(4-((5-amino-2-thiophenyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol | HCID 66582809 | — |
Reaction Steps
(2R)-2-(4-(4-((5-amino-2-thiophenyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol. 1H NMR (400 MHz, CD3OD) δ=7.48 (d, J=8.8 Hz, 2H), 7.23 (d, J=4.1 Hz, 1H), 7.03-6.91 (m, 2H), 6.08 (d, J=4.1 Hz, 1H), 3.32-3.27 (m, 4H), 3.21-3.15 (m, 4H), 1.70 (s, 3H). m/z (ESI, +ve ion) 436.0 (M+H)+. GK-GKRP IC50 (Binding)=0.448 μM; GK-GKRP EC50 (LC MS/MS-2)=0.836 μM.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08431563B2 |
| Source dataset | uspto-grants-2013_04 |
| ORD ID | ord-3ee94a780c6842caa8e3df794ce8a0ef |
| Source note | uspto-grants-2013_04 |