| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| E422990-1ml |
1ml |
现货  |
|
| 英文别名 | BETA-ELEMONICACID | BDBM50039667 | (2S)-6-methyl-2-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid | b-Elemonic acid | AKOS016036180 | Elemonic acid | 3-Oxotirucalleno |
|---|---|
| 规格或纯度 | 10mM in DMSO |
| 英文名称 | β-Elemonic acid |
| 储存温度 | 避光,-80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Application: β-Elemonic acid is a triterpene isolated from Boswellia that exhibits anticancer activity. It inhibits growth of non-small cell lung cancer (NSCLC) A549 cells (IC50 = 6.92 µM) in vitro. β-Elemonic acid induces apoptosis and cytotoxicity in A549 cells in a dose-dependent manner but has no effect on normal epithelial WI-38 cells. It inhibits phosphorylation of p42/44, MAPK/JNK, and p38 and induces production of reactive oxygen species (ROS) and COX-2 expression in vitro. β-Elemonic acid also inhibits prolyl endopeptidase (IC50 = 39.74 µM) in vitro. |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | (2S)-6-methyl-2-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid |
| INCHI | 1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,28+,29-,30+/m0/s1 |
| InChi Key | XLPAINGDLCDYQV-SDTWUMECSA-N |
| Smiles | CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C |
| Isomeric SMILES | CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C |
| 分子量 | 454.68 |
| Reaxy-Rn | 42764299 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42764299&ln= |
| 分子量 | 454.700 g/mol |
|---|---|
| XLogP3 | 7.200 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 5 |
| 精确质量Exact Mass | 454.345 Da |
| 单同位素质量Monoisotopic Mass | 454.345 Da |
| 拓扑极表面积Topological Polar Surface Area | 54.400 Ų |
| 重原子数Heavy Atom Count | 33 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 904.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 6 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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