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Benzyl isothiocyanate

Name: Benzyl isothiocyanate
Brand: TargetMol
SKU: T1082
Price: 42 USD
Availability: InStock
Rating: 5 (10 reviews)

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Catalog No. T1082Cas No. 622-78-6

Alias Isothiocyanic Acid Benzoyl Ester, Benzoylthiocarbimide

Benzyl isothiocyanate (Benzoylthiocarbimide) (BITC) is an isothiocyanate originally found in cruciferous vegetables. It shows immunomodulatory, anti-parasitic, antibiotic, antioxidative, anti-atherosclerotic, anti-angiogenic, anti-metastatic, anticancer chemotherapeutic, and chemopreventive activities.

Benzyl isothiocyanate

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Purity: 99.83%

Catalog No. T1082Alias Isothiocyanic Acid Benzoyl Ester, BenzoylthiocarbimideCas No. 622-78-6

Pack Size	Price	USA Warehouse	Global Warehouse
100 mg	$42	In Stock	In Stock
200 mg	$58	In Stock	In Stock
1 mL x 10 mM (in DMSO)	$46	In Stock	In Stock

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In Stock Estimated shipping dateUSA Warehouse[1-2 days] Global Warehouse[5-7 days]

All TargetMol products are for research purposes only and cannot be used for human consumption. We do not provide products or services to individuals. Please comply with the intended use and do not use TargetMol products for any other purpose.

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Batch Information

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Purity:99.83%

Appearance:Liquid

Color:Transparent

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COA HPLC HNMR

Product Introduction

Benzyl isothiocyanate AI Summary

Benzyl isothiocyanate induces increased cytosolic glutathione S-transferase activity in various organs of A/J mice, including the liver, small bowel mucosa, forestomach, lung, large bowel mucosa, and bladder. It exhibits cytotoxicity against various human cancer cell lines with different potencies, showing moderate activity against MDA-MB-231, Caco-2, and UACC-903 cells with IC50 values ranging from 15,000 to 42,000 nM, and lower efficacy against T98G and PC-3 cells. In vivo, Benzyl isothiocyanate demonstrates antitumor activity in UACC-903 cells xenografted in mice, reducing tumor size by 40% when administered at 2.5 μM intraperitoneally. Additionally, Benzyl isothiocyanate activates the TRPA1 channel with an EC50 of 319.0 nM and exhibits agonist activity at the human TRPA1 receptor. It shows inhibitory effects in various assays, such as inhibiting ROR gamma transcriptional activity, ALDH1A1, HPGD, USP1/UAF1, and inhibiting growth in multiple cancer cell lines including breast, renal, lung, prostate, melanoma, leukemia, ovarian, and colon cancers. It exhibits potent nematicidal activity against Meloidogyne javanica with LC90 at 8.55 μg/ml and LC50 at 4.48 μg/ml and shows antifungal properties against Sclerotinia sclerotiorum. Furthermore, Benzyl isothiocyanate inhibits sodium fluorescein uptake in OATP1B3- and OATP1B1-transfected CHO cells and macrophage migration inhibitory factor activity in human Jurkat T cells and recombinant forms expressed in Escherichia coli. It also activates human TRPV1 channels and demonstrates antiproliferative effects against LoVo and LoVo/DX cells with IC50 values of 14,500 nM and 19,800 nM, respectively. The compound exhibits anti-tumor activity in mouse 4T1 cells, associated with notable anti-inflammatory and pro-apoptotic effects but also shows hepatotoxicity and nephrotoxicity. Benzyl isothiocyanate significantly inhibits the activity of Escherichia coli GroEL and GroES chaperone proteins, inhibits SARS-CoV-2 3CL-Pro protease activity with an IC50 value greater than 20 μM, and shows antiviral activity against SARS-CoV-2 by inhibiting virus-induced cytotoxicity in VERO-6 cells. It also demonstrates antitrypanosomal activity against bloodstream Trypanosoma brucei rhodesiense STIB900, and broad-spectrum antimicrobial properties, including inhibition of Escherichia coli MurA, Staphylococcus aureus MurA, and recombinant cathepsin enzymes. Overall, Benzyl isothiocyanate displays diverse bioactivities across various biological targets and disease models..

Note: Summary generated by AI. Data source: ChEMBL

Bioactivity

Description	Benzyl isothiocyanate (Benzoylthiocarbimide) (BITC) is an isothiocyanate originally found in cruciferous vegetables. It shows immunomodulatory, anti-parasitic, antibiotic, antioxidative, anti-atherosclerotic, anti-angiogenic, anti-metastatic, anticancer chemotherapeutic, and chemopreventive activities.
Synonyms	Isothiocyanic Acid Benzoyl Ester, Benzoylthiocarbimide

Chemical Properties

Molecular Weight	149.21
Formula	C₈H₇NS
Cas No.	622-78-6
Smiles	S=C=NCc1ccccc1
Relative Density.	1.02 g/cm3

Storage & Solubility Information

Storage

Pure form: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.

Solubility Information

DMSO: 250 mg/mL (1675.49 mM), Sonication is recommended.

In Vivo Formulation

10% DMSO+90% Corn Oil: 5 mg/mL (33.51 mM), Sonication is recommended.

Please add the solvents sequentially, clarifying the solution as much as possible before adding the next one. Dissolve by heating and/or sonication if necessary. Working solution is recommended to be prepared and used immediately. The formulation provided above is for reference purposes only. In vivo formulations may vary and should be modified based on specific experimental conditions.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	6.7020 mL	33.5098 mL	67.0196 mL	335.0982 mL
5 mM	1.3404 mL	6.7020 mL	13.4039 mL	67.0196 mL
10 mM	0.6702 mL	3.3510 mL	6.7020 mL	33.5098 mL
20 mM	0.3351 mL	1.6755 mL	3.3510 mL	16.7549 mL
50 mM	0.1340 mL	0.6702 mL	1.3404 mL	6.7020 mL
100 mM	0.0670 mL	0.3351 mL	0.6702 mL	3.3510 mL

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments

and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent

10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO TargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO TargetMol | reagent stock solution to 400 μL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH₂O TargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

You can also refer to dose conversion for different animals. More Dose Conversion

Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc