| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
TLR4
|
|---|---|
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
POORLY ABSORBED /WHEN ADMIN ORALLY IN RATS/. ...NOT ABSORBED PERCUTANEOUSLY. Metabolism / Metabolites MICROBIAL DEGRADATION OF SODIUM PENTACHLOROPHENATE WAS STUDIED IN MIXED MICROBIAL COMMUNTIES & IN AXENIC BACTERIAL CULTURE. EVIDENCE WAS OBTAINED FOR THE PROBABLE PARTICIPATION OF 2,6-DICHLOROHYDROQUINONE & TETRACHLOROHYDROQUINONE OR TETRACHLOROBENZOQUINONE AS INTERMEDIATES IN CATABOLISM OF SODIUM PENTACHLORPHENATE. A SMALL AMT OF CHLORANIL WAS FOUND IN THE URINE OF ANIMALS ADMIN SODIUM PENTACHLOROPHENOL. CHLORANIL WAS ALSO DETECTED IN INTESTINAL TISSUES & LIVERS OF MICE. WHEN CHLORANIL WAS ADDED TO CULTURES OF ASPERGILLUS NIGER, NEUROSPORA CRASSA, OR MUCOR SP, RAPID BUILDUP OF FREE RADICALS...OBSERVED BY ELECTRON SPIN RESONANCE SPECTROSCOPY. YEAST SUSPENSIONS & EXTRACTS ALSO EXHIBIT RAPID BUILDUP & DECAY OF FREE RADICAL. THIS CORRESPONDS TO SEMIQUINONE. YIELDS TETRACHLOROBENZOSEMIQUINONE IN ESCHERICHIA). /FROM TABLE/ Cultures of the basidiomycete Mycena avenacea TA8480 were shown to metabolize pentachlorophenol, tetrachloro-p-hydroquinone and 2,3,5,6-tetrachloro-p-benzoquinone. The first metabolite of the pentachlorophenol degradation pathway was identified as 2,3,5,6-tetrachloro-p-hydroquinone. ... Dechlorination of 2,3,5,6-tetrachloro-p-hydroquinone yielded 3,5,6-trichloro-2-hydroxy-p-benzoquinone. ... |
| Toxicity/Toxicokinetics |
Toxicity Data
LC50 (rat) = 2,485 mg/m3/4h Non-Human Toxicity Values ORAL LD50 OF TECHNICAL CHLORANIL FREE OF TETRACHLORODIBENZO-P-DIOXINS WAS 6951 MG/KG IN FEMALE RATS. |
| References | |
| Additional Infomation |
Chloranil is a yellow powder with a slight odor. (NTP, 1992)
Tetrachloro-1,4-benzoquinone is a member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. It has a role as a metabolite and an EC 2.7.1.33 (pantothenate kinase) inhibitor. It is an organochlorine compound and a member of 1,4-benzoquinones. A quinone fungicide used for treatment of seeds and foliage. Mechanism of Action FUNGICIDAL PROPERTIES... ACTIVITY ATTRIBUTED TO ROLE IN OXIDATION-REDUCTION PROCESSES AND TO INHIBITION OF CARBOXYLASES. ... Tetrachloro-1,4-benzoquinone, a cmpd previously shown to inactivate glutathione S-transferases very efficiently by covalent binding in or close to the active site, completely prevented the alkylation of the enzyme by iodoacetamide, indicating that the reaction had taken place with the cysteine residues. ... Evidence was obtained for the covalent binding of three benzoquinone molecules per subunit, ie equivalent to the number of cysteine residues present. This threefold binding /resulted/ with a fourfold molar excess of the benzoquinone, illustrating high reactivity of this cmpd. Comparison of the number of amino acid residues modified by tetrachloro-1,4-benzoquinone with the decr of catalytic activity revealed an almost complete inhibition after modification of one cysteine residue. |
| Molecular Formula |
C6CL4O2
|
|---|---|
| Molecular Weight |
245.88
|
| Exact Mass |
204.13
|
| CAS # |
118-75-2
|
| PubChem CID |
8371
|
| Appearance |
GOLDEN-YELLOW PLATELETS FROM ACETIC ACID OR ACETONE; MONOCLINIC PRISMS FROM BENZENE OR TOLUENE OR BY SUBLIMATION IN VACUO
YELLOW LEAFLETS OR PRISMS |
| Density |
1.8±0.1 g/cm3
|
| Boiling Point |
269.5±40.0 °C at 760 mmHg
|
| Melting Point |
295-296 °C (dec.)
|
| Flash Point |
111.7±27.9 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.595
|
| LogP |
1.39
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
12
|
| Complexity |
278
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
ClC1C(C(=C(C(C=1Cl)=O)Cl)Cl)=O
|
| InChi Key |
UGNWTBMOAKPKBL-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
|
| Chemical Name |
2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
|
| Synonyms |
Tetrachloro-p-benzoquinone
|
| 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 | 4.0670 mL | 20.3351 mL | 40.6702 mL | |
| 5 mM | 0.8134 mL | 4.0670 mL | 8.1340 mL | |
| 10 mM | 0.4067 mL | 2.0335 mL | 4.0670 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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