4-(苯并[D]噻唑-2-基硫基)-3-氯苯胺
| 中文名称 | 4-(苯并[D]噻唑-2-基硫基)-3-氯苯胺 |
|---|---|
| 中文同义词 | 4-(苯并[D]噻唑-2-基硫基)-3-氯苯胺;化合物KRAS INHIBITOR-9;化合物KRAS INHIBITOR-9,10 MM DMSO 溶液;0375-0604(KRAS抑制剂-9);KRAS inhibitor-9/300809-71-6;0375-0604（KRAS抑制剂-9） |
| 英文名称 | 4-(benzo[d]thiazol-2-ylthio)-3-chloroaniline |
| 英文同义词 | 4-(benzo[d]thiazol-2-ylthio)-3-chloroaniline;0375-0604;Benzenamine, 4-(2-benzothiazolylthio)-3-chloro-;DUN09716;non-small,proliferation,inhibit,KRAS inhibitor 9,KRAS inhibitor9,cytotoxicity,Apoptosis,cell,H460,mutant,H2122,H358,lung,Inhibitor,Ras,cancer,cells,KRAS inhibitor-9,GTP-KRAS;0375-0604 (KRAS inhibitor-9);KRAS inhibitor-9, 10 mM in DMSO;KRAS inhibitor-9/300809-71-6 |
| CAS号 | 300809-71-6 |
| 分子式 | C13H9ClN2S2 |
| 分子量 | 292.81 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 300809-71-6.mol |
| 结构式 | ![4-(苯并[D]噻唑-2-基硫基)-3-氯苯胺 结构式](CAS/20180601/GIF/300809-71-6.gif) |
4-(苯并[D]噻唑-2-基硫基)-3-氯苯胺 性质
| 沸点 | 492.4±55.0 °C(Predicted) |
|---|---|
| 密度 | 1.49±0.1 g/cm3(Predicted) |
| 储存条件 | Store at -20°C |
| 溶解度 | 二甲基亚砜：250 mg/mL（853.80 mM） |
| 形态 | 固体 |
| 酸度系数(pKa) | 2.37±0.10(Predicted) |
| 颜色 | 白色至米白色 |
KRAS inhibitor-9 是有效的 KRAS 抑制剂 (Kd=92 μM)，阻止 GTP-KRAS 的形成和 KRAS 下游激活。KRAS inhibitor-9 以中等的结合亲和力与 KRAS G12D，KRAS G12C 和 KRAS Q61H 蛋白结合。KRAS inhibitor-9 导致 G2/M 细胞周期停滞并诱导凋亡 (apoptosis)。KRAS inhibitor-9 选择性抑制具有 KRAS 突变的 NSCLC 细胞的增殖，但不抑制正常肺细胞的增殖。KRAS inhibitor-9
KRAS inhibitor-9 bound to KRASG12D, KRAS G12C and KRAS Q61H protein with a moderate binding affinity of -5.38, -5.41, and -3.97 kcal/mol, respectively.
KRAS inhibitor-9 (0-100 μM) shows strong inhibition selectivity in NSCLC cells with IC
50
s ranging from 39.56 to 66.02 μM for H2122, H358 and H460 cells (at 72 hours).
KRAS inhibitor-9 (0-100 μM; 24 hours) blocks GTP-KRAS formation in H2122, H358 and H460 cells.
KRAS inhibitor-9 (25-100 μM; 48 hours) inhibits the activation of KRAS downstream signaling pathway.
KRAS inhibitor-9 (0-100 μM; 24-72 hours) induces cell cycle arrest and apoptosis in NSCLC.
Cell Viability Assay
| Cell Line: | H2122 (KRAS G12C), H358 (KRAS G12C) and H460 (KRAS Q61H) cell lines |
| Concentration: | 0, 25, 50, 100 μM |
| Incubation Time: | 24, 48, and 72 hours |
| Result: | Inhibited three NSCLC cell lines in a dose- and time-dependent manner, but not in normal lung fibroblast cell line CCD-19Lu. |
Western Blot Analysis
| Cell Line: | H2122, H358 and H460 cells |
| Concentration: | 0, 25, 50, 100 μM |
| Incubation Time: | 48 hours |
| Result: | Reduces the levels of phosphorylation of CRAF and AKT in a dose-dependent manner in H2122, H358 and H460 cells. |
Apoptosis Analysis
| Cell Line: | H2122, H358, H460 cells |
| Concentration: | 0, 25, 50, 100 μM |
| Incubation Time: | 24-72 hours |
| Result: | Significantly decreased in G0/G1 phase while remarkably increased in G2/M phase after 24 hours and induced a significantly increased apoptosis for 48h in NSCLC cell lines. |
安全信息
| 更新日期 | 产品编号 | 产品名称 | CAS号 | 包装 | 价格 |
|---|---|---|---|---|---|
| 2023/01/06 | S2958 | 4-(苯并[D]噻唑-2-基硫基)-3-氯苯胺 0375-0604 (KRAS inhibitor-9) | 300809-71-6 | 25mg | 4168.71元 |