383150-41-2

中文名称 JTE-013

英文名称 JTE-013

CAS 383150-41-2

分子式 C17H19Cl2N7O

分子量 408.29

MOL 文件 383150-41-2.mol

更新日期 2024/07/03 11:00:22

383150-41-2 结构式

基本信息物理化学性质安全数据图谱信息常见问题列表

基本信息

中文别名

化合物JTE-013
N-(2,6-二氯-4-吡啶基)-2-[1,3-二甲基-4-异丙基-1H-吡唑并[3,4-B]吡啶-6-基]肼基甲酰胺

英文别名

CS-2553
JTE-013
JTE 013
JTE013
1-(2,6-dichloro-4-pyridyl)-3-[(4-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-6-yl)amino]urea
1-(2,6-dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
1-[1,3-Dimethyl-4-(2-methylethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]-4-(3,5-dichloro-4-pyridinyl)-semicarbazide
1-[1,3-Dimethyl-4-(2-methylethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]-4-(2,6-dichloro-4-pyridinyl)-semicarbazide
N-(2,6-Dichloro-4-pyridinyl)-2-[1,3-dimethyl-4-(1-methylethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]hydrazinecarboxamide
Hydrazinecarboxamide, N-(2,6-dichloro-4-pyridinyl)-2-[1,3-dimethyl-4-(1-methylethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]-

物理化学性质

密度1.50±0.1 g/cm3(Predicted)

储存条件2-8°C

溶解度二甲基亚砜：≥20mg/mL

酸度系数(pKa)9.32±0.43(Predicted)

形态粉末

颜色白色至灰白色

安全数据

危险性符号(GHS)

GHS06

警示词危险

危险性描述H301

防范说明P301+P310

危险品标志T

危险类别码25

安全说明45

危险品运输编号UN 2811 6.1 / PGIII

WGK Germany3

图谱信息

JTE-013(383150-41-2)核磁图(¹HNMR)

常见问题列表

生物活性

JTE-013 是一种有效且选择性的 S1P2 (鞘氨醇1-磷酸2) 拮抗剂。JTE-013 抑制放射性标记的 S1P 与人和大鼠 S1P2 的特异性结合，IC50 分别为 17 nM 和 22 nM。

靶点

IC50: 17 nM (S1P ₂ for human) and 22 nM (S1P ₂ for rat)

体外研究

JTE-013 (50-200 μM; 1-3 days) reduced cell viability.
JTE-013 (10-1000 nM; 30 mins) reverses S1P-induced Akt inhibition and inhibits S1P-induced ERK activation.
JTE-013 displays 4.2% inhibition of S1P ₃ and does not antagonize S1P ₁ at concentrations up to 10 μM.

Cell Viability Assay

Cell Line:	SK-N-AS cells
Concentration:	50, 100, 150, 200 μM
Incubation Time:	1-3 days
Result:	Reduced cell viability.

Western Blot Analysis

Cell Line:	SK-N-AS cells
Concentration:	10, 100, 1000 nM
Incubation Time:	30 mins
Result:	Reversed S1P-induced Akt inhibition and inhibited S1P-induced ERK activation.

体内研究

JTE-013 (gavage; 30 mg/kg daily for 14 consecutive days) reduces tumor size and tumor weight.

Animal Model:	Six-week-old female athymic NCr-nu/nu nude mice
Dosage:	30 mg/kg
Administration:	Gavage; daily for 14 consecutive days
Result:	Reduced tumor size and tumor weight.