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Bitoscanate

Alias: Hoe 16842Bitoscanate 16842 AI3-28258 HSDB 6435BitoscanatumPhenylene thiocyanate
Cat No.:V6921 Purity: ≥98%
Bitoscanate (p-Phenylene diisothiocyanate) is an organic/chemical reagent that is anti-hookworm.
Bitoscanate
Bitoscanate Chemical Structure CAS No.: 4044-65-9
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Bitoscanate (p-Phenylene diisothiocyanate) is an organic/chemical reagent that is anti-hookworm.
Biological Activity I Assay Protocols (From Reference)
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
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.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
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 Data
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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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.

Clinical Trial Information
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
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