Powder: -20°C for 3 years | In solvent: -80°C for 2 years
Polyphyllin B 是从滇重楼中分离的一种薯蓣皂苷,可诱导细胞凋亡。它是一种免疫调节剂,具有抗肿瘤活性。
产品描述 | Polyphyllin B is a compound isolated from Rhizoma Paridis, showed pro-apoptosis and immunoregulation with antitumor activity in cultured cells and animal systems. |
体外活性 | Attenuation of formosanin C-induced change of Deltapsi(m) by caspase-2 inhibitor (Z-VDVAC) implies that caspase-2 acts upstream of the mitochondria. Blockage of formosanin C-induced apoptotic process by using either permeability transition pore inhibitor (cyclosporine A) or caspase-9 inhibitor (Z-LEHD) demonstrates the necessity of mitochondria and caspase-9 in formosanin C-induced apoptosis of HT-29 cells. |
激酶实验 | The enzyme activity and kinetics of the purified ROCK1(3-543) are determined using scintillation proximity assay. In this assay, purified ROCK1 is incubated with peptide substrate (Biotin-Ahx-AKRRLSSLRA-CONH2), and 33ATP and the subsequent incorporation of 33P into the peptide is quantified by streptavidin bead capture. For IC50 determination, test compounds are dissolved at 10 mM in 100% DMSO, with subsequent serial dilution in 100% DMSO. Compounds are typically assayed over an 11-point dilution range with a concentration in the assay of 10 μM to 0.2 nM in 3-fold dilutions. For dose-response curves, data are normalized and expressed as percentage inhibition using the formula 100×[(U-C1)/(C2-C1)], where U is the unknown value, C1 is the average of the high signal (0%) control wells, and C2 is the average of the low signal (100%) control wells. Curve fitting is performed The results for each compound are recorded as pIC50 values[1]. |
别名 | 重楼皂苷 B, 重楼皂苷B, Polyphyllin B |
分子量 | 1015.2 |
分子式 | C51H82O20 |
CAS No. | 50773-42-7 |
Powder: -20°C for 3 years | In solvent: -80°C for 2 years
DMSO: 27.5 mg/mL (27.09 mM)
( < 1 mg/mL refers to the product slightly soluble or insoluble )
参数 | 值 | 评价 | |
结构信息 | |||
氢键受体数 | 20 | ― | |
氢键供体数 | 10 | ― | |
可旋转键的数量 | 9 | Excellent | |
环数 | 10 | ― | |
最大环中的原子数 | 20 | ― | |
杂原子数 | 20 | ― | |
稳定性 | |||
刚性键数 | 54 | ― | |
柔性 | 0.167 | ― | |
立体中心数 | 31 | ― | |
溶解性 | |||
拓扑极性表面积 | 294.6 | ― | |
水溶性值的对数 | -2.785 log mol/L | Excellent | |
正辛醇/水分配系数的对数 | 1.967 log mol/L | Excellent | |
pH=7.4时正辛醇/水分布系数的对数 | 2.541 log mol/L | Excellent | |
药代动力学参数 | |||
定量评估药物相似性 | 0.137 | Poor | |
合成可行性分数 | 7.134 | Poor | |
化合物和天然产物在化学空间中的接近度评分 | 2.236 | ― | |
类药五原则 | Rejected | Rejected | |
葛兰素史克内使用的成分 ADMET 分析规则 | Rejected | Rejected | |
Golden Triangle | Rejected | Rejected | |
吸收 | |||
人结肠癌的Caco-2细胞渗透性 | -5.904 | ― | |
Madin-Darby 犬肾细胞渗透性 | 0.000250844 cm/s | Excellent | |
Pgp抑制剂 | 0.409 | Medium | |
Pgp底物 | 0.034 | Excellent | |
人体肠道吸收性 | 0.983 | Poor | |
人体口服生物利用度20% | 0.335 | Medium | |
分布 | |||
血浆蛋白结合率 | 0.7596 | Excellent | |
体积分布 | -0.064 | ― | |
血脑屏障通透性 | 0.042 | Excellent | |
血浆中未结合的部分 | 0.0893 | Medium | |
代谢 | |||
CYP 3A4 抑制剂 | 0.002 | ― | |
CYP 1A2 底物 | 0.111 | ― | |
CYP 2C19 底物 | 0.112 | ― | |
CYP 2C9 底物 | 0.036 | ― | |
CYP 2D6 底物 | 0.126 | ― | |
CYP 3A4 底物 | 0.028 | ― | |
排泄 | |||
药物的清除 | 0.025 | Poor | |
药物的半衰期 | 0.012 | Excellent | |
毒性参数 | |||
FAF-Drugs4 Rule | 1 | ― | |
NonBiodegradable Rule | 1 | ― | |
Pfizer Rule | Accepted | Accepted | |
SR-MMP | 0.919 | ― | |
致毒剂量 | |||
FDA 推荐的每日最大剂量 | 0.042 | Excellent | |
IGC50 | 4.494 | ― | |
LC50FM | 5.624 | ― | |
LC50DM | 5.667 | ― | |
致畸性 | |||
NR-AR-LBD(Androgen receptor) | 0.054 | Excellent | |
NR-Aromatase | 0.541 | Medium | |
NR-ER(Estrogen receptor) | 0.235 | Excellent | |
NR-ER-LBD(Estrogen receptor) | 0.812 | Poor | |
致敏性 | |||
皮肤致敏规则 | 2 | ― | |
皮肤致敏 | 0.001 | Excellent | |
急性毒性 | |||
急性毒性规则 | 2 | ― | |
大鼠经口急性毒性 | 0.977 | Poor | |
器官毒性 | |||
hERG 阻滞剂 | 0.013 | Excellent | |
人体肝毒性 | 0.152 | Excellent | |
药物性肝损伤 | 0.033 | Excellent | |
直接刺激性 | |||
眼睛刺激性 | 0.003 | Excellent | |
眼睛腐蚀性 | 0.001 | Excellent | |
呼吸道毒性 | 0.077 | Excellent | |
致突变性 | |||
污染物致突变性 | 0.094 | Excellent | |
致肿瘤性 | |||
致癌性 | 0.1 | Excellent | |
抗氧化反应元件 | 0.452 | Medium | |
ATP酶家族含AAA结构域蛋白5 | 0.822 | Poor | |
SR-p53 | 0.827 | Poor |
中药材名称 | 中药材拉丁名 | 性 | 味 | 归经 |
七叶一枝花 | Paris polyphylla Smith var. chinensis (Franch.) Hara, P. polyphylla Smith | 寒 | 苦 | 心, 肝, 肺 |
中成药名称 | 处方组成 | 主治疾病 | 中成药类型 |
罗浮山百草油 | 两面针,徐长卿,九里香,辛夷花,红花,水芙蓉,还魂草,三七,千里光,大头陈,当归,鹅不食草,三七,肿节风,鸡骨香,砂仁,独活,羌活,生姜,陈皮,香附,野菊花,山白芷,桂枝,小罗伞,蔓荆子,桔梗,紫珠叶,地胆草,细辛,五指柑,肉豆蔻,木防己,三叉苦,金银花,救必应,白半枫荷,山苍子,麻黄,地念,防风,半枝莲,铁包金,柴胡,飞天禽劳,鸡骨草,荆芥,虎杖,钩藤,一枝黄花,白花灯笼,白花蛇舌草,人字草,金线风,石仙桃,五月艾,皂角刺,木香,山芝麻,益母草,紫苏叶,倒扣草,侧柏叶,金耳环,一朵云,七叶一枝花,鱼腥草 | 外用,涂搽患处。 | 解表药 |
季德胜蛇药片 | 七叶一枝花,蟾蜍,蜈蚣,地锦草 | 口服。一次1袋,一日3次,或遵医嘱。 | 清热药 |
方剂名称 | 处方组成 | 剂型 | 处方来源 |
梦灵丸 | 羊肝,七叶一枝花,玄精石,石决明,黄连,蕤核 | 丸剂 | 《圣济总录》卷一○二。 |
对于不同动物的给药剂量换算,您也可以参考 更多...
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。
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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。
Formosanin C 50773-42-7 Apoptosis Proteases/Proteasome Caspase 重楼皂苷 B inhibit Inhibitor 重楼皂苷B Polyphyllin B inhibitor