1104546-89-5
中文名稱
4-((1-甲基-1H-吡咯-2-基)亞甲基)異喹啉-1,3(2H,4H)-二酮
英文名稱
4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione
CAS
1104546-89-5
分子式
C15H12N2O2
分子量
252.27
MOL 文件
1104546-89-5.mol
更新日期
2024/11/05 13:11:13
1104546-89-5 結(jié)構(gòu)式
基本信息
中文別名
化合物BYK2041654-((1-甲基-1H-吡咯-2-基)亞甲基)異喹啉-1,3(2H,4H)-二酮
英文別名
RT-017290BYK 204165
PARP Inhibitor XIV
BYK204165 >=98% (HPLC)
4-(1-methyl-1H-pyrrol-2-ylmethylene)-4H-isoquinolin-1,3-dione
4-(1-Methyl-1H-pyrrol-2-ylmethylene)-4H-isoquinoline-1,3-dione
4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione
1,3(2H,4H)-Isoquinolinedione, 4-[(1-methyl-1H-pyrrol-2-yl)methylene]-
所屬類別
生物化工：抑制劑物理化學(xué)性質(zhì)
沸點(diǎn)492.5±45.0 °C(Predicted)
密度1.27±0.1 g/cm3(Predicted)
儲(chǔ)存條件2-8°C
溶解度二甲基亞砜：>20mg/mL
酸度系數(shù)(pKa)9.30±0.20(Predicted)
形態(tài)粉末
顏色黃色
常見(jiàn)問(wèn)題列表
生物活性
BYK204165 是一種有效的 poly(ADP-ribose) polymerase (PARP) 的選擇性抑制劑。BYK204165 可抑制無(wú)細(xì)胞重組的人類PARP-1 (hPARP-1)對(duì)應(yīng)的pIC50值和pKi值分別為7.35和7.05，對(duì)小鼠PARP-2 (mPARP-2)的pIC50值為5.38。靶點(diǎn)
| Target | Value |
|
hPARP-1
(Cell-free assay) | 7.35(pIC50) |
|
hPARP-1
(Cell-free assay) | 7.05(pKi) |
|
mPARP-2
(Cell-free assay) | 5.38(pIC50) |
體外研究
In kinetic experiments with human PARP-1, BYK204165 exhibits potent and competitive inhibition of enzyme activity, yielding a pK
i
value of 7.05.
BYK204165 exhibits low potency of PARP inhibition in C4I cells (pIC
50
of 5.75).
體內(nèi)研究
BYK204165 is not investigated in vivo because of its short half-time (t 1/2 ) of 23 min measured at rat microsomes in vitro.