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1043854-13-2

中文名稱 J-14
英文名稱 J-14
CAS 1043854-13-2
分子式 C28H25ClN4O2S
分子量 517.04
MOL 文件 1043854-13-2.mol
更新日期 2024/11/08 11:24:23
1043854-13-2 結(jié)構(gòu)式 1043854-13-2 結(jié)構(gòu)式

基本信息

中文別名
化合物J-14
4-(((4-(4-(2-氯苯基)哌嗪-1-基)-6-苯基嘧啶-2-基)硫代)甲基)苯甲酸
英文別名
Benzoic acid, 4-[[[4-[4-(2-chlorophenyl)-1-piperazinyl]-6-phenyl-2-pyrimidinyl]thio]methyl]-

物理化學(xué)性質(zhì)

沸點762.9±60.0 °C(Predicted)
密度1.42±0.1 g/cm3(Predicted)
儲存條件Sealed in dry,Room Temperature
溶解度DMSO: 260 mg/mL (502.86 mM)
酸度系數(shù)(pKa)4.08±0.10(Predicted)
形態(tài)Solid
顏色White to off-white

安全數(shù)據(jù)

危險性符號(GHS)GHS hazard pictograms
GHS07
警示詞警告
危險性描述H302-H315-H319-H335

常見問題列表

生物活性
J14 是一種可逆 sulfiredoxin 抑制劑,IC50 為 8.1 μM。J14 通過抑制 sulfiredoxin 誘導(dǎo)氧化應(yīng)激 (導(dǎo)致細胞內(nèi) ROS 積累),從而導(dǎo)致細胞毒性和癌細胞死亡。
靶點

IC50: 8.1 μM (Sulfiredoxin); ROS

體外研究

J14 (0-100 μM; 0-96 hours; A549 cells) treatment inhibits the growth of A549 cells in a concentration- and a time- dependent manner, and its half inhibitory concentration for the growth of A549 cells was 15.7 μM.
J14 (20 μM; 48-72 hours; A549 cells) treatment causes not only the release of cytochrome c into the cytosol, but also the activation of caspase-3 and caspase-9. J14 induces oxidative damage to mitochondria, resulting in caspase-mediated apoptosis.
J14 treatment significantly increases the accumulation of sulfinic peroxiredoxins and intracellular ROS. Excess accumulation of intracellular ROS causes oxidative damage, leading to cell death. J14 significantly induces cell death in A549 cells in a time-dependent manner, resulting in approximately 40% cell death in 96 hours.
J14 induces oxidative mitochondrial damage and apoptosis.

Cell Viability Assay

Cell Line: A549 cells
Concentration: 0-100 μM
Incubation Time: 0 hour, 24 hours, 48 hours, 72 hours, 96 hours
Result: Inhibited the growth of A549 cells in a concentration- and a time- dependent manner.

Western Blot Analysis

Cell Line: A549 cells
Concentration: 20 μM
Incubation Time: 48 hours, 72 hours
Result: Caused not only the release of cytochrome c into the cytosol, but also the activation of caspase-3 and caspase-9.
體內(nèi)研究

J14 (50 mg/kg; intraperitoneal injection; daily; for 16 days; BALB/c nude female mice) treatment significantly reduces the average tumor volume. The masses and weights of the primary tumors excised from the J14-treated mice are significantly lower compared with those of the control mice.

Animal Model: Six-week-old BALB/c nude female mice injected with A549 cells
Dosage: 50 mg/kg
Administration: Intraperitoneal injection; daily; for 16 days
Result: Significantly reduced the growth of human lung tumor without acute toxicity.
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