| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Literature did not describe the specific action targets of methyl protoneogracillin.
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|---|---|
| ln Vitro |
Methyl protoneogracillin showed concentration-dependent cytotoxicity against multiple human cancer cell lines in vitro. The IC50 values were determined as follows: 0.18 μM for human lung adenocarcinoma A549 cells, 0.22 μM for human colon adenocarcinoma HT-29 cells, 0.25 μM for human breast adenocarcinoma MCF-7 cells, and 0.31 μM for human hepatocellular carcinoma HepG2 cells. Compared with gracillin (another steroidal saponin from the same plant), methyl protoneogracillin exhibited slightly stronger antiproliferative effects on the tested cancer cells.[1]
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| Cell Assay |
The in vitro cytotoxicity assay protocol of methyl protoneogracillin was conducted as follows: 1. Human cancer cell lines (A549, HT-29, MCF-7, HepG2) were cultured in RPMI 1640 medium containing 10% fetal bovine serum and 1% penicillin-streptomycin, and maintained in a 37°C incubator with 5% CO₂. 2. Logarithmic phase cells were harvested, counted, and seeded into 96-well plates at a density of 5×10³ cells per well, followed by 24-hour incubation for cell adhesion. 3. Methyl protoneogracillin was dissolved in DMSO and diluted with culture medium to prepare concentrations of 0.01, 0.05, 0.1, 0.5, 1.0, and 5.0 μM (final DMSO concentration < 0.1% to avoid cytotoxicity). 4. Drug solutions were added to the wells (3 replicates per concentration), with blank control (medium only) and solvent control (medium + 0.1% DMSO) groups set. 5. After 72-hour co-incubation, 20 μL of MTT solution (5 mg/mL in PBS) was added, and incubation continued for 4 hours. 6. Supernatant was removed, 150 μL of DMSO was added to dissolve formazan crystals, and absorbance was measured at 570 nm using a microplate reader. 7. Cell viability was calculated as: (Absorbance of drug group - Absorbance of blank control) / (Absorbance of solvent control - Absorbance of blank control) × 100%, and IC50 was obtained via linear regression.[1]
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| References | |
| Additional Infomation |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxa] Cyclohexane-2-yl]oxybutyl]-5-oxapentane[10.8.0.02,9.04,8.013,18]eicos-18-en-16-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxacyclohexane-2-yl]oxyoxacyclohexane-3-yl]oxy-6-methyloxacyclohexane-3,4,5-triol has been reported in Dioscorea panthaica, Dioscorea futschauensis, and other organisms for which relevant data are available.
See also: Methyl proto-gralcillin (note moved to). Methylproglarcilin (NSC-698793) is a steroidal saponin isolated from the rhizome of Dioscorea collettii var. hypoglauca. It is a structural analog of glarcilin (NSC-698787), another steroidal saponin from the same plant. This study aimed to compare the in vitro cytotoxicity of the two compounds against human cancer cells and to confirm that methylproglarcilin is a potential cytotoxic drug for cancer research. [1] |
| Molecular Formula |
C52H86O23
|
|---|---|
| Molecular Weight |
1079.2255
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| Exact Mass |
1078.556
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| CAS # |
54522-53-1
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| PubChem CID |
44566783
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| Appearance |
White to off-white solid powder
|
| Density |
1.5±0.1 g/cm3
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| Index of Refraction |
1.628
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| LogP |
1.34
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| Hydrogen Bond Donor Count |
13
|
| Hydrogen Bond Acceptor Count |
23
|
| Rotatable Bond Count |
16
|
| Heavy Atom Count |
75
|
| Complexity |
1940
|
| Defined Atom Stereocenter Count |
31
|
| SMILES |
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC
|
| InChi Key |
LOSNTJHBTWBJCC-QTGARSGCSA-N
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| InChi Code |
InChI=1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3/t21-,22+,23+,25+,26-,27+,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,47+,48+,49-,50+,51+,52-/m1/s1
|
| Chemical Name |
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-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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| 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: 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) |
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
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|---|---|
| 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 | 0.9266 mL | 4.6329 mL | 9.2659 mL | |
| 5 mM | 0.1853 mL | 0.9266 mL | 1.8532 mL | |
| 10 mM | 0.0927 mL | 0.4633 mL | 0.9266 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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