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Deguelin

Deguelin

产品编号 T6817   CAS 522-17-8
别名: (-)-cis-Deguelin, 鱼藤素, (-)-Deguelin, 魚藤素

Deguelin 是一种 PI3K/Akt 抑制剂,是从 Mundulea sericea 家族植物中分离出来的鱼藤酮类化合物。

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Deguelin, CAS 522-17-8
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产品目录号及名称: Deguelin (T6817)
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纯度: 98.26%
纯度: 96.39%
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天然产物信息
生物活性
化学信息
存储 & 溶解度
TCMIP信息
参考文献
植物来源
产品描述 Deguelin is a PI3K/AKT Inhibitor, which is a natural product isolated from plants in the Mundulea sericea family.
体外活性 In leukaemia cell lines, Deguelin downregulates Akt phosphorylation through activating PI3K/Akt axis. Deguelin increases the sensitivity of human leukaemia cells to chemotherapeutic drugs. In U937 cells deguelin does not affect the expression or the phosphorylation levels of either p44/42 or p38 MAP kinases. Deguelin, when employed for 24 h at 10 nmol/l, causes an S phase arrest of U937 cells, with interference of progression to G2/M phase. While employed alone up to a concentration of 10 nmol/l for 24 h, Deguelin does not significantly increase the apoptotic rate of U937 cells.Deguelin (10 or 100 nmol/l) is potent in inhibiting Akt phosphorylation,while deguelin does not affect total Akt expression. Deguelin dephosphorylates Akt and increases cytarabine sensitivity of AML blasts but not of CB CD34+.
体内活性 In pre-clinical trials, deguelin markedly decreased the tumor incidence. It exhibited significant anti-tumorigenesis and anti-proliferative activity in various types of cancer both in vitro and in vivo. Topically-administered deguelin significantly suppressed the multiplicity of skin tumors with UVB-induction, indicating its effect as a potential cancer chemopreventive agent. Treatment with deguelin, a potential mitochondria complex I inhibitor, reduced tyrosine hydroxylase-positive neurons, leading to Parkinson's disease.Deguelin promoted a PD-like syndrome, mainly by Src/STAT signaling, since α-synuclein (a key protein function in the pathogenesis of PD) was phosphorylated by deguelin-activated Src.Deguelin inhibits in vivo angiogenesis of chick chorioallantoic membrane (CAM) without cytotoxic effect and significantly reduces laser-induced CNV in a mouse model of AMD without significant retinal toxicity. In A/J mice, deguelin clearly reduced the tumor multiplicity and volume, as well as the overall tumor burden with exposure to the tobacco-specific carcinogen benzo(a)pyrene (Bap) and other carcinogens, with no detectable toxicity.
激酶实验 Caspase 3 activity is determined using Caspase-Glo-3 assays. This assay provides luminogenic substrate in a buffer system optimized for each specific caspase activity. The caspase cleavage of the substrate is followed by generation of a luminescent signal. The signal generated is proportional to the amount of caspase activity present in the sample. Protein (10 μg) from the cell samples is diluted in water to a final volume of 50 μL and added to a white 96-well microtitre plate, followed by 50 μL of Caspase-Glo-3 reagent. The plate is sealed and gently mixed at 300-500 rpm for 30 s and incubated at room temperature for 30 min. Luminescence is measured in a microplate reader (TECAN Infinite 200).
细胞实验 U937 Cells are incubated with the indicated concentrations (1 nM, 10 nM, 100 nM) of deguelin for 24 h.Flow cytometric analysis of cell cycle in response to deguelin. Flow cytometric analysis of cell cycle in response to deguelin.
动物实验 A/J mice were treated by oral gavage of 5.0 or 10.0 mg/kg deguelin dissolved in corn oil.
别名 (-)-cis-Deguelin, 鱼藤素, (-)-Deguelin, 魚藤素
分子量 394.42
分子式 C23H22O6
CAS No. 522-17-8

存储

Powder: -20°C for 3 years | In solvent: -80°C for 2 years

溶解度

Ethanol: 19.7 mg/mL (50 mM)

DMSO: 39.4 mg/mL (100 mM)

( < 1 mg/mL refers to the product slightly soluble or insoluble )

TCMIP相关数据
产品理化性质
中药材来源及性味归经

产品理化性质

参数 评价
结构信息
氢键受体数 6 Excellent
可旋转键的数量 2 Excellent
环数 5 Excellent
最大环中的原子数 22
杂原子数 6 Excellent
稳定性
刚性键数 27 Excellent
柔性 0.074
立体中心数 2 Excellent
溶解性
拓扑极性表面积 63.22 Excellent
水溶性值的对数 -4.590 log mol/L
正辛醇/水分配系数的对数 4.573 log mol/L
pH=7.4时正辛醇/水分布系数的对数 4.055 log mol/L
药代动力学参数
定量评估药物相似性 0.767 Excellent
合成可行性分数 3.698 Excellent
化合物和天然产物在化学空间中的接近度评分 2.264
类药五原则 Accepted Accepted
葛兰素史克内使用的成分 ADMET 分析规则 Rejected Rejected
Golden Triangle Accepted Accepted
吸收
人结肠癌的Caco-2细胞渗透性 -4.906 Excellent
Madin-Darby 犬肾细胞渗透性 0.0000322141 cm/s Excellent
Pgp抑制剂 0.999 Poor
Pgp底物 0 Excellent
人体肠道吸收性 0.006 Excellent
人体口服生物利用度20% 0.008 Excellent
分布
血浆蛋白结合率 0.9827
体积分布 0.74 Excellent
血脑屏障通透性 0.115 Excellent
血浆中未结合的部分 0.054 Medium
代谢
CYP 1A2 抑制剂 0.297
CYP 2C19 抑制剂 0.897
CYP 2C9 抑制剂 0.882
CYP 2D6 抑制剂 0.937
CYP 3A4 抑制剂 0.949
CYP 1A2 底物 0.858
CYP 2C19 底物 0.851
CYP 2C9 底物 0.902
CYP 2D6 底物 0.849
CYP 3A4 底物 0.646
排泄
药物的清除 5.186 Medium
药物的半衰期 0.093 Excellent
毒性参数
Pfizer Rule Rejected Rejected
SR-MMP 0.888
致毒剂量
FDA 推荐的每日最大剂量 0.847 Poor
IGC50 4.826
LC50FM 7.251
LC50DM 7.069
致畸性
NR-AR(Androgen receptor) 0.016 Excellent
NR-AR-LBD(Androgen receptor) 0.143 Excellent
NR-Aromatase 0.847 Poor
NR-ER(Estrogen receptor) 0.376 Medium
NR-ER-LBD(Estrogen receptor) 0.759 Poor
致敏性
皮肤致敏规则 3
皮肤致敏 0.167 Excellent
急性毒性
大鼠经口急性毒性 0.696 Medium
器官毒性
hERG 阻滞剂 0.11 Excellent
人体肝毒性 0.842 Poor
药物性肝损伤 0.735 Poor
直接刺激性
眼睛刺激性 0.003 Excellent
眼睛腐蚀性 0.04 Excellent
呼吸道毒性 0.857 Poor
致突变性
污染物致突变性 0.222 Excellent
致肿瘤性
致癌性 0.767 Poor
抗氧化反应元件 0.819 Poor
ATP酶家族含AAA结构域蛋白5 0.805 Poor
SR-p53 0.959 Poor

中药材来源及性味归经

中药材名称 中药材拉丁名 归经
灰叶根 Tephrosia purpurea(L.)Pers. 微苦 脾, 胃
铃兰 Convallaria keiskei Miq. 甘, 苦
毛鱼藤 Derris elliptica (Roxb.) Benth. -
木榄 Bruguiera gymnorhiza (Linnaeus) Savigny 大肠
鱼藤 Derris trifoliata 苦, 辛

参考文献

1. Bortul R, et al. Br J Haematol. 2005, 129(5):677-86. 2. Kim JH, et al. J Pharmacol Exp Ther. 2008, 324(2):643-7. 3. Wang Y, et al. Mol Clin Oncol. 2013, 1(2):215-219. 4. Yan Y, et al. Neoplasia. 2005, 7(12):1053-7.

文献引用

1. Liu X, Yang J, Yang C, et al. Morphine promotes the malignant biological behavior of non-small cell lung cancer cells through the MOR/Src/mTOR pathway. Cancer Cell International. 2021, 21(1): 1-14 2. Liu X, Yang J, Yang C, et al. Morphine promotes the malignant biological behavior of non-small cell lung cancer cells through the MOR/Src/mTOR pathway. Cancer cell International. 2021, 21(1): 1-14
TD52 (±)-α-Bisabolol AZD5582 Salinomycin sodium salt Ecdysone BS-181 SCR7 EPZ004777 hydrochloride

相关化合物库

该产品包含在如下化合物库中:
抑制剂库 激酶抑制剂库 抗乳腺癌化合物库 抗肺癌化合物库 糖代谢化合物库 抗衰老化合物库 NO PAINS 化合物库 氧化还原化合物库 干细胞分化化合物库 黄酮类天然产物库

剂量换算

对于不同动物的给药剂量换算,您也可以参考 更多...

体内实验配液计算器

请在以下方框中输入您的动物实验信息后点击计算,可以得到母液配置方法和体内配方的制备方法: 比如您的给药剂量是10 mg/kg,每只动物体重20 g,给药体积100 μL,一共给药动物10 只,您使用的配方为5% DMSO+30% PEG300+5% Tween 80+60% ddH2O。那么您的工作液浓度为2 mg/mL。

母液配置方法:2 mg 药物溶于 50 μL DMSO (母液浓度为 40 mg/mL), 如您需要配置的浓度超过该产品的溶解度,请先与我们联系。

体内配方的制备方法:取 50 μL DMSO 主液,加入 300 μL PEG300, 混匀澄清,再加 50 μL Tween 80,混匀澄清,再加 600 μL ddH2O, 混匀澄清。

第一步:请输入动物实验的基本信息
剂量
mg/kg
每只动物体重
g
给药体积
μL
动物数量
第二步:请输入动物体内配方组成,不同的产品配方组成不同,如有配方需求,可先联系我们提供正确的体内配方。
% DMSO
%
% Tween 80
% ddH2O
计算 重置

计算器

摩尔浓度计算器
稀释计算器
配液计算器
分子量计算器
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X
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输入分子式,点击计算,可计算出产品的分子量。

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技术支持

您可能有的问题的答案可以在抑制剂处理说明中找到,包括如何准备库存溶液,如何存储产品,以及基于细胞的分析和动物实验需要特别注意的问题。

Keywords

Deguelin 522-17-8 Apoptosis Autophagy Cytoskeletal Signaling PI3K/Akt/mTOR signaling Akt PI3K inhibit (-)-cis-Deguelin Protein kinase B 鱼藤素 PKB Inhibitor (-)-Deguelin 魚藤素 inhibitor

 

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