| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
Cimicifugoside targets nucleoside transporters, inhibiting their function. It also targets B-cells, exhibiting immunosuppressive activity by preferentially inhibiting B-cell function. It can selectively inhibit nicotinic acetylcholine receptors (nAChRs).
|
|---|---|
| ln Vitro |
In vitro, Cimicifugoside inhibits nucleoside transport. It synergistically potentiates the cytotoxicity of methotrexate. It also shows immunosuppressive activity by preferentially inhibiting B-cell function.
|
| ln Vivo |
In vivo, the immunosuppressive activity of Cimicifugoside suggests potential applications in autoimmune diseases or as an immunosuppressant. Its ability to inhibit nucleoside transport and synergize with methotrexate could be relevant for cancer therapy. However, specific in vivo data are limited.
|
| Enzyme Assay |
In vitro non-cell enzyme assays for Cimicifugoside typically involve measuring the inhibition of nucleoside transport using membrane vesicles or purified transporters. The compound is incubated with a radiolabeled nucleoside (e.g., [³H]uridine), and the amount of radioactivity transported is measured.
|
| Cell Assay |
In vitro cell-based assays for Cimicifugoside use B-cell and T-cell lines to study its immunosuppressive effects. Cell proliferation is measured using [³H]thymidine incorporation or MTT assays. Its synergistic effect with methotrexate is studied in cancer cell lines by measuring cell viability after treatment with the combination.
|
| Animal Protocol |
In vivo animal studies for Cimicifugoside would likely employ models of autoimmune disease or cancer. The compound would be administered to the animals, and disease severity (for autoimmune models) or tumor growth (for cancer models) would be assessed. Its immunosuppressive activity could be confirmed by measuring antibody production.
|
| ADME/Pharmacokinetics |
Cimicifugoside has a molecular weight of 674.82 g/mol and a molecular formula of C₃₇H₅₄O₁₁. It is a triterpenoid compound with a purity of ≥98%. It is soluble in organic solvents. Detailed pharmacokinetic parameters have not been extensively characterized.
|
| Toxicity/Toxicokinetics |
The toxicity profile of Cimicifugoside has not been fully characterized. Its immunosuppressive activity suggests it could have significant biological effects. Comprehensive toxicological studies are needed.
|
| References |
|
| Additional Infomation |
Cimicifugoside is a triterpenoid compound. The ester of [(1'S,3'R,4'R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxacyclohexane-2-yl]oxospiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexane[11.9.0.01,21.04,12.05,10.016,21]docosa-13-en]-3'-yl]acetate has been reported in Actaea racemosa, and relevant data are available.
Cimicifugoside is a triterpenoid from Cimicifuga simplex that acts as a specific nucleoside transport inhibitor. It synergistically potentiates methotrexate cytotoxicity and exhibits immunosuppressive activity preferentially directed toward B-cells. Not approved for clinical use. |
| Molecular Formula |
C37H54O11
|
|---|---|
| Molecular Weight |
674.8181
|
| Exact Mass |
674.367
|
| CAS # |
66176-93-0
|
| PubChem CID |
441913
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.38 g/cm3
|
| Index of Refraction |
1.619
|
| LogP |
2.948
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
48
|
| Complexity |
1450
|
| Defined Atom Stereocenter Count |
14
|
| SMILES |
O1[C@]2([C@@]3([H])[C@@](C([H])([H])[H])([C@@]([H])(O[H])O2)O3)C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]2([H])[C@]1([H])C([H])([H])[C@]1(C([H])([H])[H])[C@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])[C@]23C1=C([H])C([H])([H])[C@@]1([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@]21C3([H])[H])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])(C([H])([H])O1)O[H])O[H])O[H])OC(C([H])([H])[H])=O
|
| InChi Key |
XUJMHSCMPCZWOV-UJAIUVFWSA-N
|
| InChi Code |
InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21+,23+,24-,25+,26+,27-,28+,29?,30?,32+,33-,34?,35-,36+,37?/m1/s1
|
| Chemical Name |
[(1'S,3'R,4'R,5'R,6'R,10'S,12'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-yl] acetate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4819 mL | 7.4094 mL | 14.8188 mL | |
| 5 mM | 0.2964 mL | 1.4819 mL | 2.9638 mL | |
| 10 mM | 0.1482 mL | 0.7409 mL | 1.4819 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
