2-[[6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基]氨基]乙醇

生物活性靶点体外研究体内研究 2-[[6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基]氨基]乙醇试剂级价格

CAS号:212779-48-1
英文名:COMPOUND 52
中文名:2-[[6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基]氨基]乙醇
CBNumber:CB7469930
分子式:C16H19ClN6O
分子量:346.81
MOL File:Mol file

2-[[6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基]氨基]乙醇化学性质

沸点 :587.7±60.0 °C(Predicted)
密度 :1.42±0.1 g/cm3(Predicted)
储存条件 :Keep in dark place,Sealed in dry,2-8°C
溶解度 :methylene chloride: 50 mg/mL, clear, colorless
形态 :powder
酸度系数(pKa) :14.54±0.10(Predicted)
颜色 :white to off-white

安全信息

危险品标志 :Xn
危险类别码 :40-68
安全说明 :36/37
WGK Germany :3

2-[[6-[(3-氯苯基)氨基]-9-异丙基-9H-嘌呤-2-基]氨基]乙醇性质、用途与生产工艺

生物活性 NG-52是三取代嘌呤，可结合酵母CDK的ATP结合区域，抑制Cdc28p和Pho85p，IC50分别为7 μM和2 μM。
靶点
Target Value
Pho85p
(Cell-free assay) 2 μM
Cdc28p
(Cell-free assay) 7 μM

体外研究

NG 52 (Compound 52) inhibits growth in a drug-sensitized yeast strain ( S. cerevisiae ) with a GI ₅₀ of 30 μM. NG 52 is active against cdc2-cyclin B with an IC ₅₀ value of 340 nM.
NG 52 dose-dependently inhibits the proliferation of glioma U87 and U251 cell lines with GI ₅₀ values of 7.8 μM and 5.2 μM, respectively, meanwhile it potently inhibits the proliferation of primary glioma cells.
NG 52 (12.5-50 μM) effectively inhibits the phosphorylation of PDHK1 at Thr338 site and the phosphorylation of PDH at Ser293 site in U87 and U251 cells, resulting in more pyruvic acid entering the Krebs cycle with increased production of ATP and ROS.
NG 52 can reverse the Warburg effect by enhancing the activity of pyruvate dehydrogenase (PDH) through inhibiting the activity of PGK1, and switched cellular glucose metabolism from anaerobic mode to aerobic mode.

Cell Proliferation Assay

Cell Line:	Glioma U87 and U251 cells
Concentration:	0 μM, 12.5 μM, 25 μM, 50 μM
Incubation Time:	6 days
Result:	Potently inhibited the proliferation of primary glioma cells.

Western Blot Analysis

Cell Line:	Glioma U87 and U251 cells
Concentration:	0 μM, 12.5 μM, 25 μM, 50 μM
Incubation Time:	12 hours or 24 hours
Result:	Potently inhibited the proliferation of primary glioma cells.

体内研究

NG 52 (50-150 mg/kg; oral administration; daily; for 13 days) treatment dose-dependently suppresses the growth of glioma xenograft.

Animal Model:	Female nu/nu mice (5-week-old) injected with glioma cells
Dosage:	50 mg/kg, 100 mg/kg, 150 mg/kg
Administration:	Oral administration; daily; for 13 days
Result:	Dose-dependently suppressed the growth of glioma xenograft.