| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Targets |
Gracillin targets various cellular pathways involved in inflammation, cancer, and bone metabolism. It has been shown to inhibit the activation of NF-κB and MAPK signaling pathways, reducing the production of pro-inflammatory cytokines. In cancer cells, gracillin induces apoptosis through activation of caspases and modulation of Bcl-2 family proteins. It also affects osteoblast and osteoclast differentiation, potentially through regulation of RANKL/OPG signaling and Wnt/β-catenin pathways.
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| ln Vitro |
Gracillin has no activity against EKVX (non-small cell lung cancer), HT29 (colon cancer), OVCAR-5 (ovarian cancer), and SN12C (renal cancer), but it is cytotoxic against the majority of cell lines with GI50, TGI, and LC50 at micromolar levels[1].
In vitro, gracillin demonstrates anti-inflammatory activity by reducing the production of pro-inflammatory cytokines such as TNF-α, IL-1β, and IL-6 in stimulated macrophages. It exhibits anticancer activity against various cancer cell lines by inducing apoptosis, inhibiting proliferation, and suppressing invasion and migration. Gracillin also shows osteoprotective effects by promoting osteoblast differentiation and inhibiting osteoclast formation and activity. Antioxidant activity has also been reported. |
| ln Vivo |
Gavage: 10 mg/kg for xenografts; 20 mg/kg for PDX models; Xenografts derived from lung cancers (intestinal and lung tumors) and metamorphic tumors of the enclosed lung (H1299), stent (DU145), and colorectal (HCT116) [1]. Tumor growth in transplanted tumors.
In vivo, gracillin has been studied in animal models of inflammation, cancer, and osteoporosis. Anti-inflammatory effects have been demonstrated in models of acute and chronic inflammation. Anticancer activity has been shown in xenograft models where gracillin inhibits tumor growth. Osteoprotective effects have been demonstrated in ovariectomized animal models of osteoporosis, where gracillin prevents bone loss and improves bone mineral density. Cardioprotective effects have also been reported. |
| Enzyme Assay |
For anti-inflammatory assays, macrophages (e.g., RAW 264.7) are cultured and pre-treated with gracillin at various concentrations (typically 1-100 µM) before stimulation with LPS. Cytokine levels in supernatant are measured by ELISA. NF-κB and MAPK activation is assessed by Western blot. For anticancer assays, cancer cell lines are treated with gracillin and cell viability, apoptosis, and invasion are assessed using standard methods.
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| Cell Assay |
For anti-inflammatory studies, macrophage cell lines (e.g., RAW 264.7) or primary macrophages are cultured in DMEM with 10% FBS at 37°C with 5% CO₂. Cells are pre-treated with gracillin at various concentrations for 1-2 hours and then stimulated with LPS for 24 hours. Cytokine levels are measured by ELISA. For anticancer studies, cancer cell lines are treated with gracillin for 24-72 hours and cell viability is assessed by MTT assay. Apoptosis is evaluated by flow cytometry.
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| Animal Protocol |
In vivo studies are conducted in rodent models. For anti-inflammatory studies, carrageenan-induced paw edema or LPS-induced systemic inflammation models are used. Gracillin is administered orally or intraperitoneally. For anticancer studies, tumor xenograft models are established and gracillin is administered by various routes. For osteoporosis studies, ovariectomized rats or mice are used and gracillin is administered orally. Bone mineral density is measured by DEXA or micro-CT.
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| ADME/Pharmacokinetics |
Gracillin has a complex molecular structure typical of steroidal saponins, with a molecular weight of approximately 885.05 and formula C₄₅H₇₂O₁₆. It is a glycoside composed of diosgenin linked to sugar moieties. The compound is typically stored as a powder at -20°C and is soluble in DMSO. Purity and detailed physicochemical properties are available from chemical suppliers.
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| References |
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| Additional Infomation |
Gracillin is a triterpenoid compound. It has been reported to exist in Dioscorea collettii, Dracaena cochinchinensis, and other organisms with relevant data.
Gracillin is a naturally occurring steroidal saponin isolated from Dioscorea species. It exhibits diverse pharmacological activities including anti-inflammatory, anticancer, anti-osteoporotic, and cardioprotective effects. The compound has been studied in various in vitro and in vivo models and has shown potential as a therapeutic agent for inflammatory diseases, cancer, and osteoporosis. As a natural product, it is of interest for drug discovery and development. |
| Molecular Formula |
C45H72O17
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|---|---|
| Molecular Weight |
885.054
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| Exact Mass |
884.476
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| Elemental Analysis |
C, 61.07; H, 8.20; O, 30.73
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| CAS # |
19083-00-2
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| Related CAS # |
19083-00-2
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| PubChem CID |
159861
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.4±0.1 g/cm3
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| Melting Point |
290-293℃ (DEC.)
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| Index of Refraction |
1.623
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| LogP |
4.41
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| Hydrogen Bond Donor Count |
9
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| Hydrogen Bond Acceptor Count |
17
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
62
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| Complexity |
1620
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| Defined Atom Stereocenter Count |
26
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| SMILES |
O1[C@]2(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])O2)C([H])(C([H])([H])[H])[C@]2([H])[C@@]1([H])C([H])([H])[C@]1([H])[C@@]3([H])C([H])([H])C([H])=C4C([H])([H])C([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])O[C@]1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[C@]1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])O[C@]1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])[H])O1)O[H])O[H])O[H]
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| InChi Key |
YQEMAEKYNNOCBY-IEMDQPGHSA-N
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| InChi Code |
InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
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| Chemical Name |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
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| Synonyms |
NSC698787; NSC 698787; NSC-698787; Gracillin
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| HS Tariff Code |
2934.99.03.00
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~250 mg/mL (~282.5 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.35 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.1299 mL | 5.6494 mL | 11.2988 mL | |
| 5 mM | 0.2260 mL | 1.1299 mL | 2.2598 mL | |
| 10 mM | 0.1130 mL | 0.5649 mL | 1.1299 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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