Niwa, Hideaki; Watanabe, Chiduru; Sato, Shin; Harada, Toshiyuki; Watanabe, Hisami; Tabusa, Ryo; Fukasawa, Shunsuke; Shiobara, Ayane; Hashimoto, Tomoko; Ohno, Osamu; Nakamura, Kana; Tsuganezawa, Keiko; Tanaka, Akiko; Shirouzu, Mikako; Honma, Teruki; Matsuno, Kenji; Umehara, Takashi published the artcile< Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2>, HPLC of Formula: 6482-24-2, the main research area is phenylcycloproylamine preparation diastereoselective SAR anticancer enzyme inhibitor activity.
Synthesis of 65 cis- and trans-PCPA derivatives I [R = R1 = H, F; R2 = H, Cl, Me, etc.; R3 = H, F, OH; R4 = H, Br, CF3, etc.] and evaluated their inhibitory activity against LSD1 and LSD2 were reported. One of the derivatives, I [R = R3 = H, R1 = R2 = F, R4 = Br] inhibited LSD1 and LSD2 with Ki values of 0.094μM and 8.4μM, resp., and increased the level of dimethylated histone H3 at K4 in CCRF-CEM cells. A machine learning-based regression model (Q2 = 0.61) to predict LSD1-inhibitory activity was also constructed and showed a good prediction accuracy (R2 = 0.81) for I. The present methodol. would be useful when designing covalent-binding inhibitors for other enzymes.
ACS Medicinal Chemistry Letters published new progress about Antitumor agents. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, HPLC of Formula: 6482-24-2.
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem