| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
This study investigated the urinary excretion and metabolism of the radiolabeled compound 4-isopropylmethanol in rats after intraperitoneal injection. Results showed that the radioactive substance was rapidly excreted in the urine, with 47% of the administered dose being excreted within 4 hours. A major metabolite, isopropylmethanol 4-glucuronide, was identified. The significant excretion of this metabolite indicates that 4-glucuronidation is an important detoxification reaction of 4-isopropylmethanol in rats. |
|---|---|
| Toxicity/Toxicokinetics |
Interactions
In rats, treatment with 4-isopropylmethanol reduced the binding of benzo[a]pyrene metabolites in the kidneys by 3-fold and in the liver by 2-fold. No effect on benzo[a]pyrene binding was detected in the lungs, brain, or skeletal muscle. Toxic doses of 4-isopropylmethanol preferentially deplete glutathione in the rat lungs. Pretreatment of rats with piperin butoxide (a 4-isopropylmethanol metabolic activation inhibitor) prevented pulmonary glutathione depletion and 4-isopropylmethanol pulmonary toxicity. Diethyl maleate (DEM) is a substance that depletes tissue glutathione (GSH) and increases the covalent binding and toxicity of 4-isopropylmethanol in rats. DEM treatment had no significant effect on the tissue distribution of unmetabolized 4-isopropylmethanol. DEM treatment significantly increased the covalently bound 4-isopropylmethanol equivalent and the level of 4-isopropylmethanol metabolites in the lungs throughout all test time periods. These data are consistent with the view that pretreatment with diethyl maleate in rats resulted in increased covalent binding and toxicity of 4-isopratimidol in the lungs due to diethyl maleate depletion of pulmonary glutathione (GSH), rather than a significant alteration in the tissue distribution of the parent compound 4-isopratimidol induced by diethyl maleate. In rats, phenobarbital treatment increased the excretion of the unconjugated 4-isopratimidol metabolite (isopratimidol-4-glucuronide) in urine, while 3-methylcholanthrene treatment did not alter its excretion. These data suggest that the reduced covalent binding and lethality of 4-isopentenol in the rat lungs following treatment with 3-methylcholanthrene and phenobarbital are due to alterations in the tissue distribution of the parent compound. |
| References | |
| Additional Infomation |
4-Ipomeanol is an aromatic ketone. Ipomeanol is a naturally occurring toxic furan, isolated from fungal-infected sweet potato (Ipomoea batatas), and possesses potential antitumor activity. In vivo, isotheloides is activated by a mixed-function oxidase to an epoxide form, which is an alkylating agent that can covalently bind to cellular macromolecules. This substance induces cell death through a p53-independent mechanism. (NCI04) A pulmonaryly toxic furan terpenoid compound produced in fungal-infected moldy sweet potato; RN refers to compounds without isomers; structure
Mechanism of Action This study investigated the formation of highly active metabolites of 4-isopentenol (a substance with selective pulmonary toxicity to rodents and other mammals and potent hepatotoxicity to birds) in tissues of live roosters and Japanese quails. Consistent with previous in vivo studies on the covalent binding selectivity and toxicity of 4-isopentenol metabolites to target organs in birds, the formation rate of the active metabolite was very high in avian liver microsomes, while the activity was relatively low or absent in avian lung or kidney microsomes. |
| Molecular Formula |
C9H12O3
|
|---|---|
| Molecular Weight |
168.19
|
| Exact Mass |
168.079
|
| CAS # |
32954-58-8
|
| PubChem CID |
36284
|
| Appearance |
Typically exists as solids at room temperature
|
| Hydrogen Bond Donor Count |
1
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
12
|
| Complexity |
156
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(CCC(=O)C1=COC=C1)O
|
| InChi Key |
RJYQLMILDVERHH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3
|
| Chemical Name |
1-(furan-3-yl)-4-hydroxypentan-1-one
|
| 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 | 5.9457 mL | 29.7283 mL | 59.4566 mL | |
| 5 mM | 1.1891 mL | 5.9457 mL | 11.8913 mL | |
| 10 mM | 0.5946 mL | 2.9728 mL | 5.9457 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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