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| ln Vivo |
Glucotropaeolin (150 mg/kg body weight) was orally administered to germ-free (GF), conventional flora (NF), and human flora-associated (HFA) rats for three consecutive days, followed by IQ treatment (90 mg/kg) on the fourth day. Pretreatment with GT led to a complete reduction of IQ-induced DNA damage in both hepatocytes and colonocytes, regardless of the microbial status of the animals, as measured by the alkaline single cell gel electrophoresis (comet) assay. The comet tail lengths in GT+IQ treated animals were almost similar to those measured in cells from control animals (untreated). Additionally, a moderate but non-significant decrease in spontaneous (background) DNA damage was observed in animals that received Glucotropaeolin alone [1].
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| Animal Protocol |
Glucotropaeolin was administered orally to male Fischer 344 rats (body weight 250 g) with different microbial statuses: germ-free (GF), conventional flora (NF), and human flora-associated (HFA). The compound was dissolved in distilled water. Rats were pretreated with Glucotropaeolin at a dose of 150 mg/kg body weight once daily for three consecutive days via gavage (0.2 ml/animal). On the fourth day, the animals were exposed to IQ (90 mg/kg in corn oil) for 4 hours and then killed for isolation of liver and colon cells. In separate groups, rats received Glucotropaeolin alone (150 mg/kg for three days) to assess its effect on spontaneous DNA damage. All animals were deprived of feed for 24 hours before IQ exposure but received water ad libitum. Negative controls received oil only [1].
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| ADME/Pharmacokinetics |
Fecal residues of Glucotropaeolin were determined using HPLC. In GF rats, 11–14 μmol (5–6 mg) of Glucotropaeolin per gram of feces were found at each collection time. The daily recovery of Glucotropaeolin in feces of GF rats was 21–44 μmol (9–19 mg) per rat, which accounted for 25–50% of the daily ingested dose. In contrast, Glucotropaeolin was not detectable in the feces of HFA or NF rats, indicating complete metabolic degradation by the intestinal microflora [1].
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| References | |
| Additional Infomation |
Glucotropaeolin is a glucosinolate found in cruciferous vegetables such as Brassica species. Its chemoprotective effects are generally attributed to breakdown products (isothiocyanates and indoles) formed by plant myrosinase or intestinal bacterial enzymes. However, the study observed a strong protective effect against IQ-induced DNA damage even in GF rats, suggesting spontaneous degradation of Glucotropaeolin in the upper digestive tract as a possible mechanism. This is the first report using the single cell gel electrophoresis (comet) assay in rats with different intestinal microflora to investigate interactions between intestinal bacteria, chemical carcinogens, and chemoprotective compounds [1].
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| Molecular Formula |
C14H18KNO9S2
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|---|---|
| Molecular Weight |
447.5223
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| Exact Mass |
447.006
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| CAS # |
5115-71-9
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| PubChem CID |
133701348
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| Appearance |
White to off-white solid
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| Melting Point |
188～189℃
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
27
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| Complexity |
580
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[K+].S(/C(/C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=N/OS(=O)(=O)[O-])C1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]
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| InChi Key |
UYCWNAZWHVREMO-GYVLLFFHSA-M
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| InChi Code |
InChI=1S/C14H19NO9S2.K/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8;/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22);/q;+1/p-1/b15-10+;
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| Chemical Name |
potassium;[(E)-[2-phenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate
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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 | 2.2345 mL | 11.1727 mL | 22.3454 mL | |
| 5 mM | 0.4469 mL | 2.2345 mL | 4.4691 mL | |
| 10 mM | 0.2235 mL | 1.1173 mL | 2.2345 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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