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| Other Sizes |
| Targets |
The molecular targets of sodium aescinate include the CARMA3/NF-κB pathway, through which it inhibits liver cancer growth. It also targets the Keap1-Nrf2 pathway. It can block signals to downstream molecules AKT and ERK, inhibit the proliferation of breast cancer cells, and induce apoptosis by suppressing the activation of SRC. It also protects the ischemic brain on reperfusion injury by increasing Bcl-2 protein expression and decreasing Caspase-3 protein expression.
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| ln Vitro |
Sodium aescinate can decrease the proliferation of breast cancer cells MCF-7 by apoptosis, block signals to downstream molecules AKT and ERK, and induce apoptosis by blocking the activation of SRC[3].
In vitro studies have demonstrated that sodium aescinate can block signals transiting to downstream molecules AKT and ERK, inhibit the proliferation of breast cancer cell MCF-7, and induce cell apoptosis by suppressing the activation of SRC. It has been shown to have anti-inflammatory and antioxidant activities. It can protect the ischemia brain on reperfusion injury. These properties make it a valuable compound for studying cancer, inflammation, and vascular biology. |
| ln Vivo |
The anti-inflammatory and antioxidant properties of sodium aescinate help diabetic rats repair their wounds more efficiently [1]. Treatment with sodium acetate has the potential to lessen polycystic ovarian syndrome symptoms (PCOS). Through control of the PI3K/Akt/GSK3-β pathway, a rat model was assembled [4].
In vivo studies have shown that sodium aescinate may effectively control and improve wound healing in diabetic rats via its anti-inflammatory and antioxidant activities. It prevents and alleviates acute lung injury induced by oleic acid. Topical application of sodium aescinate can accelerate wound healing significantly marked by compact collagen deposition and newly regenerated epithelial layer. Sodium aescinate treatment can alleviate the symptoms of polycystic ovary syndrome. |
| Enzyme Assay |
In vitro enzyme/receptor binding assays for sodium aescinate typically involve studying its interaction with various molecular targets. Binding studies may be conducted to assess its interaction with proteins involved in the NF-κB pathway, such as CARMA3. Enzyme activity assays may be performed to measure its effects on AKT, ERK, and SRC activity. Additionally, studies may investigate its effects on the Keap1-Nrf2 pathway.
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| Cell Assay |
In vitro cell-based assays for sodium aescinate typically involve treatment of cultured cells with the compound followed by assessment of various cellular responses. Cell viability and proliferation assays are used to evaluate its anti-proliferative effects on cancer cells. Apoptosis assays are performed to assess the induction of programmed cell death. Signaling pathway analysis via Western blotting is used to evaluate the effects on AKT, ERK, and SRC phosphorylation.
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| Animal Protocol |
In vivo animal studies for sodium aescinate typically involve administration to animal models to evaluate its pharmacological effects. Diabetic rat models are used to study its effects on wound healing. Oleic acid-induced acute lung injury models are used to study its protective effects. Polycystic ovary syndrome models are used to study its effects on reproductive health. Ischemia-reperfusion injury models are used to study its neuroprotective effects.
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| ADME/Pharmacokinetics |
Sodium aescinate has a molecular weight of 1123.21. The CAS number is 20977-05-3. It is soluble in DMSO at 10 mg/mL (8.9 mM). It has a purity of >98% (HPLC). The compound is derived from Aesculus hippocastanum seeds and is used as a vasoactive drug in clinical treatment.
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| Toxicity/Toxicokinetics |
The toxicity profile of sodium aescinate has been evaluated in preclinical and clinical studies. It is used as a therapeutic agent in clinical treatment for its vasoactive properties. Common adverse effects may include local reactions at the site of application. The compound is generally well-tolerated when used at therapeutic doses. Standard laboratory safety practices should be followed when handling this compound.
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| References |
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| Additional Infomation |
Sodium aescinate (SA) (CAS 20977-05-3) is a triterpenoid saponin derived from Aesculus hippocastanum seeds with anti-inflammatory and antioxidant activities. It enhances venous tone, reduces capillary permeability, and alleviates tissue edema. It targets the CARMA3/NF-κB pathway and the Keap1-Nrf2 pathway. It is used as a vasoactive drug in clinical treatment and in research.
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| Molecular Formula |
C54H84NAO23
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|---|---|
| Molecular Weight |
1124.2208
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| Exact Mass |
1123.53
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| CAS # |
20977-05-3
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| PubChem CID |
3084345
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
11
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| Hydrogen Bond Acceptor Count |
23
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
78
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| Complexity |
2230
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| Defined Atom Stereocenter Count |
18
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| SMILES |
[Na+].O1[C@@]2([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C3([H])C4=C([H])C([H])([H])C5([H])C6(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([C@](C([H])([H])[H])(C([H])([H])O[H])C6([H])C([H])([H])C([H])([H])C5(C([H])([H])[H])[C@]4(C([H])([H])[H])C([H])([H])[C@]1([H])C3(C([H])([H])OC(C([H])(C([H])([H])[H])C([H])(C([H])([H])[H])OC(C([H])([H])[H])=O)=O)C2([H])O[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O[H])O1)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[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O1)O[H])O[H])O[H]
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| InChi Key |
OJTQULAMLNBGOY-RRKCPRGASA-N
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| InChi Code |
InChI=1S/C54H84O23.Na/c1-22(23(2)71-24(3)57)45(68)70-21-54-26-16-49(4,5)43(42(54)65)73-32(54)17-53(9)25(26)10-11-30-50(6)14-13-31(51(7,20-56)29(50)12-15-52(30,53)8)74-48-40(76-46-36(62)33(59)27(58)19-69-46)38(64)39(41(77-48)44(66)67)75-47-37(63)35(61)34(60)28(18-55)72-47;/h10,22-23,26-43,46-48,55-56,58-65H,11-21H2,1-9H3,(H,66,67);/q;+1/t22?,23?,26?,27-,28-,29?,30?,31?,32-,33+,34-,35+,36-,37-,38+,39+,40-,41+,42?,43-,46+,47-,48-,50?,51-,52?,53-,54?;/m1./s1
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| Chemical Name |
sodium;(2S,3S,4S,5R,6R)-6-[[(1R,3S,8S,20S)-22-[(3-acetyloxy-2-methylbutanoyl)oxymethyl]-21-hydroxy-8-(hydroxymethyl)-3,4,8,12,19,19-hexamethyl-23-oxahexacyclo[18.2.1.03,16.04,13.07,12.017,22]tricos-15-en-9-yl]oxy]-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
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| HS Tariff Code |
2934.99.9001
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 :~100 mg/mL (~89.03 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.23 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (2.23 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (2.23 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.8895 mL | 4.4475 mL | 8.8951 mL | |
| 5 mM | 0.1779 mL | 0.8895 mL | 1.7790 mL | |
| 10 mM | 0.0890 mL | 0.4448 mL | 0.8895 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.
Link: https://clinicaltrials.gov/ct2/show/NCT07339631
Conditions:Low Back Pain|Paraspinal Muscle|CLBP - Chronic Low Back Pain|Non-specific Chronic Low Back PainLink: https://clinicaltrials.gov/ct2/show/NCT05263167
Conditions:Edema BrainLink: https://clinicaltrials.gov/ct2/show/NCT04247659
Conditions:Cerebral Infarction|Cerebral EdemaProducts are for research use only; We do not sell to patients
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