Escin IACAS# 123748-68-5 |
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Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
| Cas No. | 123748-68-5 | SDF | Download SDF |
| PubChem ID | 6476030 | Appearance | White powder |
| Formula | C55H86O24 | M.Wt | 1131.3 |
| Type of Compound | Triterpenoids | Storage | Desiccate at -20°C |
| Synonyms | Aescin A | ||
| Solubility | Soluble in ethanol; slightly soluble in water | ||
| Chemical Name | (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | ||
| SMILES | CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C | ||
| Standard InChIKey | AXNVHPCVMSNXNP-IVKVKCDBSA-N | ||
| Standard InChI | InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1 | ||
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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| About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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| Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. | ||
| Description | Escin IA is a prodrug and its structure can be converted to desacylescin I by human intestinal bacteria and Lactobacillus brevis., desacylescin I as a biotransformation product shows potentially inhibitory effects on mouse tumor, and a potential candidate for anti tumor agents. Escin IA has anti-TNBC metastasis activity, and its action mechanisms involved inhibition of EMT process by down-regulating LOXL2 expression. |
| Targets | LOX | TNF-α | TGF-β/Smad | HIF |
| In vitro | Escin Ia suppresses the metastasis of triple-negative breast cancer by inhibiting epithelial-mesenchymal transition via down-regulating LOXL2 expression[Pubmed: 27008697 ]Oncotarget, 2016, 7(17):23684-99.
Studies on the biotransformation of escin Ia by human intestinal bacteria and the anti-tumor activities of desacylescin I[Pubmed: 14970884]Beijing Da Xue Xue Bao. 2004,36(1):31-5.To study Biotransformation of Escin IA by the crude enzymes of human intestinal bacteria and Lactobacillus brevis, determine the structures of biotransformation products and assay the inhibitory effect of desacylescin I on the tumor cell growth.
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Escin IA Dilution Calculator
Escin IA Molarity Calculator
| 1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
| 1 mM | 0.8839 mL | 4.4197 mL | 8.8394 mL | 17.6788 mL | 22.0985 mL |
| 5 mM | 0.1768 mL | 0.8839 mL | 1.7679 mL | 3.5358 mL | 4.4197 mL |
| 10 mM | 0.0884 mL | 0.442 mL | 0.8839 mL | 1.7679 mL | 2.2098 mL |
| 50 mM | 0.0177 mL | 0.0884 mL | 0.1768 mL | 0.3536 mL | 0.442 mL |
| 100 mM | 0.0088 mL | 0.0442 mL | 0.0884 mL | 0.1768 mL | 0.221 mL |
| * Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. | |||||
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[Studies on the biotransformation of escin Ia by human intestinal bacteria and the anti-tumor activities of desacylescin I].[Pubmed:14970884]
Beijing Da Xue Xue Bao Yi Xue Ban. 2004 Feb;36(1):31-5.
OBJECTIVE: To study Biotransformation of Escin IA by the crude enzymes of human intestinal bacteria and Lactobacillus brevis, determine the structures of biotransformation products and assay the inhibitory effect of desacylescin I on the tumor cell growth. METHODS: The Escin IA was incubated with crude enzymes of human intestinal bacteria and Lactobacillus brevis in vitro, respectively. The biotransformation products were isolated and purified by the chromatographic methods and the structures were determined by the spectroscopic techniques. RESULTS: Escin IA was converted into isoEscin IA, desacylescin I, 21beta-O-tigloylprotoaescigenin and protoaescigenin by crude enzymes of human intestinal bacteria and Lactobacillus brevis. Desacylescin I showed potentially inhibitory effects on tumor cell growth of mouse sarcoma-180, hepatic carcinoma H(22) and lung carcinoma in vivo. CONCLUSION: The results suggest that Escin IA was a prodrug and its structure can be converted by human intestinal bacteria and Lactobacillus brevis. Desacylescin I as a biotransformation product showed potentially inhibitory effects on mouse tumor, and a potential candidate for anti tumor agents.
