| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Bitoscanate does not have a well-defined biological target. As an isothiocyanate, it can react with nucleophilic groups in biological molecules, including amines and thiols. The compound's high toxicity is attributed to its reactivity with biological molecules. It emits very toxic fumes of nitrogen oxides and sulfur oxides when heated to decomposition.
|
|---|---|
| ln Vitro |
In vitro, Bitoscanate is used as a research chemical. Its reactivity with amines and other nucleophiles has been characterized. The compound's chemical properties, including its stability and reactivity, have been studied. Its effects on biological systems have not been extensively characterized due to its high toxicity.
|
| ln Vivo |
In vivo, Bitoscanate is highly toxic if ingested. The compound reacts readily with amines and generates significant amounts of heat. It emits very toxic fumes when heated to decomposition. Its toxicity profile has been characterized in toxicological studies.
|
| Enzyme Assay |
In cell-free biochemical assays, Bitoscanate is characterized for its chemical properties and purity. Its molecular weight (192.27 g/mol) and molecular formula (C8H4N2S2) are determined using analytical techniques. Its melting point (132°C) is characterized. Its purity (>98%) is assessed by GC. Its reactivity with amines is evaluated.
|
| Cell Assay |
Cellular assays for Bitoscanate are limited due to its high toxicity. Its effects on cell viability and function have not been extensively studied.
|
| Animal Protocol |
Animal models for Bitoscanate are limited due to its high toxicity. Toxicological studies have characterized its toxicity profile.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for Bitoscanate show that the compound has a molecular weight of 192.27 g/mol with a molecular formula of C8H4N2S2. The CAS number is 4044-65-9. The compound appears as colorless to beige, odorless crystalline compound. It has a melting point of 129.0-133.0°C. Standard handling procedures for highly toxic compounds apply.
|
| Toxicity/Toxicokinetics |
Toxicity Summary
Cyanide is an inhibitor of cytochrome c oxidase in the fourth electron transport complex (located on the mitochondrial membrane of eukaryotic cells). It forms a complex with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents electrons from being transferred from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted, and the cell can no longer perform aerobic respiration to produce ATP for energy. Tissues that rely primarily on aerobic respiration, such as the central nervous system and the heart, are particularly susceptible to this effect. Cyanide is also known to exert some toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydrocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinate dehydrogenase, and copper/zinc superoxide dismutase. Cyanide binds to the iron ions in methemoglobin to form inactive cyanogenic methemoglobin. (L97) Toxicity Data LD50: 21 mg/kg (intraperitoneal injection, mice) (T14) LD50: 230 mg/kg (oral administration, mice) (T14) Non-human Toxicity Values Mouse Intraperitoneal LD50: 21 mg/kg Mouse Oral LD50: 230 mg/kg Rat Oral LD50: 21 mg/kg The toxicity profile of Bitoscanate indicates that it is highly toxic if ingested. It reacts readily with amines and generates significant amounts of heat. It emits very toxic fumes of nitrogen oxides and sulfur oxides when heated to decomposition. Extreme caution should be exercised when handling this compound. |
| Additional Infomation |
Therapeutic Uses
Anti-nematode Drug Used as an anthelmintic to treat hookworm disease. It can be taken in three divided doses of 100 mg, 12 hours apart; or as a single dose of 150 mg. It is recommended to repeat the treatment course after an 8-week interval. A study of 1395 patients with mixed infections showed that hookworm patients aged 10-14 years receiving a total dose of 300 mg had the highest cure rate. Bitoscarbate is also effective against Giardiasis and Hymenolepis nana. A study of 1714 participants showed that a single dose of 150 mg of bitoscarbate is valuable for large-scale eradication of hookworms (Ailuropoda melanogaster and Ailuropoda spp.). A clinical efficacy and safety study of bitoscarbate (Jonit) was conducted in 30 patients hospitalized for Ailuropoda melanogaster infection. Patients were given 100 mg bistortamate twice, 12 hours after meals. Sixteen out of 30 patients were cured. Egg counts decreased by more than 95% in 90% of patients. Observed adverse reactions were mild and limited to the gastrointestinal tract. All laboratory test results were unremarkable. Bitoscanate (1,4-Phenylene diisothiocyanate) is a highly toxic organic compound that reacts with amines. It has a molecular weight of 192.27 g/mol and formula C8H4N2S2. The CAS number is 4044-65-9. |
| Molecular Formula |
C8H4N2S2
|
|---|---|
| Molecular Weight |
192.25
|
| Exact Mass |
191.982
|
| CAS # |
4044-65-9
|
| PubChem CID |
19958
|
| Appearance |
White to gray solid powder
|
| Density |
1.2g/cm3
|
| Boiling Point |
339.4ºC at 760 mmHg
|
| Melting Point |
129-131 °C(lit.)
|
| Flash Point |
167.2ºC
|
| Vapour Pressure |
0.000182mmHg at 25°C
|
| Index of Refraction |
1.641
|
| LogP |
3.155
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
12
|
| Complexity |
205
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
S=C=NC1C([H])=C([H])C(=C([H])C=1[H])N=C=S
|
| InChi Key |
OMWQUXGVXQELIX-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
|
| Chemical Name |
1,4-diisothiocyanatobenzene
|
| Synonyms |
Hoe 16842Bitoscanate 16842 AI3-28258 HSDB 6435BitoscanatumPhenylene thiocyanate
|
| 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) |
DMSO : ~20 mg/mL (~104.03 mM)
H2O : < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (10.40 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.2016 mL | 26.0078 mL | 52.0156 mL | |
| 5 mM | 1.0403 mL | 5.2016 mL | 10.4031 mL | |
| 10 mM | 0.5202 mL | 2.6008 mL | 5.2016 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT01618032 | COMPLETED | Other: HVLA Other: MWM Other: placebo |
Chronic Instability of Joint | CEU San Pablo University | 2010-11 | Not Applicable |
| NCT05515965 | COMPLETED | Other: Kinesiotaping Other: Sham |
Hand Deformity Kinesiotape Rheumatoid Arthritis |
Istanbul Arel University | 2018-04-01 | Not Applicable |
| NCT06081088 | COMPLETED | Other: Graded Motor Imagery (GMI) training
Other: Conventional Physiotherapy Other: Home Exercise Program |
Pain Shoulder Impingement Syndrome |
Marmara University | 2023-10-16 | Not Applicable |
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
