Cat. No.: HY-77813

Benzyl isothiocyanate

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Benzyl isothiocyanate is an orally available isothiocyanate with bactericidal, anticancer, antiangiogenic and anthelmintic activities. Benzyl isothiocyanate exerts anticancer functions by regulating multiple signaling pathways, including apoptosis, cell proliferation, cell cycle arrest, metastasis, angiogenesis, and autophagy. In addition, Benzyl isothiocyanate can enhance muscle insulin sensitivity to improve obesity-induced hyperglycemia.

For research use only. We do not sell to patients.

Purity: 99.62%
CAS No.: 622-78-6
Formula: C₈H₇NS
Molecular Weight:149.21

Storage:

4°C, stored under nitrogen

* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

Benzyl isothiocyanate Chemical Structure

CAS No.: 622-78-6

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Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

Description

All Antibiotic Isoforms :

All Parasite Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	20.5 μM Compound: A	Antiproliferative activity against human A549 cells after 72 hrs by SRB assay Antiproliferative activity against human A549 cells after 72 hrs by SRB assay	[PMID: 21704523]
Caco-2	IC₅₀	15 μM Compound: 1a, BITC	Cytotoxicity against human Caco-2 cells after 72 hrs by MTS assay Cytotoxicity against human Caco-2 cells after 72 hrs by MTS assay	[PMID: 19053750]
HT-1080	IC₅₀	>50 μM Compound: 1a, BITC	Cytotoxicity against human HT1080 cells after 72 hrs by MTS assay Cytotoxicity against human HT1080 cells after 72 hrs by MTS assay	[PMID: 19053750]
LoVo	IC₅₀	10.5 μM Compound: A	Antiproliferative activity against doxorubicin-resistant human LoVo cells after 72 hrs by SRB assay Antiproliferative activity against doxorubicin-resistant human LoVo cells after 72 hrs by SRB assay	[PMID: 21704523]
LoVo	IC₅₀	12.3 μM Compound: A	Antiproliferative activity against human LoVo cells after 72 hrs by SRB assay Antiproliferative activity against human LoVo cells after 72 hrs by SRB assay	[PMID: 21704523]
LoVo	IC₅₀	14.5 μM Compound: 26	Antiproliferative activity against human LoVo cells assessed as reduction in cell viability after 72 hrs by SRB assay Antiproliferative activity against human LoVo cells assessed as reduction in cell viability after 72 hrs by SRB assay	[PMID: 26639764]
LoVo	IC₅₀	14.5 μM Compound: BITC	Cytotoxicity against human LoVo cells after 72 hrs by sulforhodamine B assay Cytotoxicity against human LoVo cells after 72 hrs by sulforhodamine B assay	[PMID: 28342398]
LoVo	IC₅₀	14.5 μM Compound: BITC	Antiproliferative activity against human LoVo cells after 72 hrs by SRB assay Antiproliferative activity against human LoVo cells after 72 hrs by SRB assay	[PMID: 29945793]
MCF7	IC₅₀	18.9 μM Compound: A	Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay	[PMID: 21704523]
MDA-MB-231	IC₅₀	42 μM Compound: 1a, BITC	Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTS assay Cytotoxicity against human MDA-MB-231 cells after 72 hrs by MTS assay	[PMID: 19053750]
PC-3	IC₅₀	>50 μM Compound: 1a, BITC	Cytotoxicity against human PC-3 cells after 72 hrs by MTS assay Cytotoxicity against human PC-3 cells after 72 hrs by MTS assay	[PMID: 19053750]
T47D	IC₅₀	7.4 μM Compound: A	Antiproliferative activity against human T47D cells after 72 hrs by SRB assay Antiproliferative activity against human T47D cells after 72 hrs by SRB assay	[PMID: 21704523]
T98G	IC₅₀	>100 μM Compound: 1a, BITC	Cytotoxicity against human T98G cells after 72 hrs by MTS assay Cytotoxicity against human T98G cells after 72 hrs by MTS assay	[PMID: 19053750]
UACC-903	IC₅₀	15 μM Compound: 1a, BITC	Cytotoxicity against human UACC-903 cells after 72 hrs by MTS assay Cytotoxicity against human UACC-903 cells after 72 hrs by MTS assay	[PMID: 19053750]

In Vitro

Benzyl isothiocyanate (1-5 µM; 24 and 48 h) significantly inhibits the migration, mobilization and invasion of B16F10 cells^[2].
Benzyl isothiocyanate shows some cytotoxicity to Caenorhabditis elegans, with LC₉₀ values ranging from 15-45 µM^[5].
Benzyl isothiocyanate shows some cytotoxicity to human ovarian tumor cell lines CH1, 41M and SKOV-3, mouse leukemia cell line L-1210 and mouse solid tumor cell line PC6/sens, with IC₅₀ values of 2.2, 7.2, 6.1, 2.0 and 2.2 µM, respectively^[7].
Benzyl isothiocyanate inhibits the growth of HeLa cell lines in a dose-dependent manner with an IC₅₀ value of 1.9 µM^[7].
Benzyl isothiocyanate (5 μM; 16 h) promotes insulin-dependent glucose uptake in PA-treated C2C12 myotubes, upregulates antioxidant defense in C2C12 myotubes and inhibits PA-induced ROS generation^[8].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Western Blot Analysis^[2]

Cell Line:

B16F10 cells
Concentration:

1, 2.5 and 5 µM
Incubation Time:

24 and 48 h
Result:

Increased the expression of MAPK signaling-related proteins and inhibited the expression of RhoA, Ras and sod-1.

In Vivo

Benzyl isothiocyanate (0.05 % and 0.1% BITC in the diet; p.o.; 18 weeks) reduces the final body weight of C57BL/6J mice fed a HFD by 10 % and 19.1 %, respectively, in a dose-dependent manner^[8].
Benzyl isothiocyanate (fed a basal diet containing 100 ppm Benzyl isothiocyanate; p.o.; 53 weeks) reduces the incidence of N-Nitrosodiethylamine (HY-N7434)-induced liver tumors in male ACI/N rats^[9].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

Male ACI/N rats were injected intraperitoneally with a single dose of 200 mg/kg DEN before administration^[9].
Dosage:

100 ppm
Administration:

Mixed in the basic diet for daily feeding
Result:

Reduce liver weight and relative liver weight in mice.

Animal Model:

Male 4-week-old C57BL/6J mice fed a high-calorie diet^[8]
Dosage:

Add 0.05% or 0.1% BITC to high-calorie diets
Administration:

Free feeding for 18 weeks
Result:

Reduced plasma total cholesterol, non-esterified fatty acids, glucose levels and HOMA-IR in a dose-dependent manner.

Chemical Information

CAS No. 622-78-6
Appearance Liquid (Density: 1.125 g/cm³ )
Molecular Weight 149.21
Formula C₈H₇NS
Color Colorless to light yellow
SMILES

S=C=NCC1=CC=CC=C1
Structure Classification
- Others
Initial Source
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

4°C, stored under nitrogen

* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (670.20 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H₂O : < 0.1 mg/mL (insoluble)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

6.7020 mL

33.5098 mL

67.0196 mL

5 mM

1.3404 mL

6.7020 mL

13.4039 mL

10 mM

0.6702 mL

3.3510 mL

6.7020 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

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In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 5 mg/mL (33.51 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (278 KB)
SDS (618 KB)
- English - EN (618 KB)
- Français - FR (618 KB)
- Deutsch - DE (618 KB)
- Norwegian - NO (618 KB)
- Español - ES (618 KB)
- Swedish - SV (618 KB)
- Italian - IT (618 KB)
- Portuguese - PT (618 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. Abdel-Kader MS, et al. Quantitative Analysis of Benzyl Isothiocyanate in Salvadora persica Extract and Dental Care Herbal Formulations Using Reversed Phase C18 High-Performance Liquid Chromatography Method. Pharmacogn Mag. 2017 Oct;13(Suppl 3):S412-S416. [Content Brief]

[2]. Lai KC, et al. Benzyl isothiocyanate and phenethyl isothiocyanate inhibit murine melanoma B16F10 cell migration and invasion in vitro. Int J Oncol. 2017 Sep;51(3):832-840. [Content Brief]

[3]. Dinh T N, et al. Anticancer activities of dietary benzyl isothiocyanate: A comprehensive review[J]. Pharmacological Research, 2021, 169: 105666. [Content Brief]

[4]. Kassie F, et al. Genotoxic effects of benzyl isothiocyanate, a natural chemopreventive agent[J]. Mutagenesis, 1999, 14(6): 595-604. [Content Brief]

[5]. Kermanshai R, et al. Benzyl isothiocyanate is the chief or sole anthelmintic in papaya seed extracts[J]. Phytochemistry, 2001, 57(3): 427-435. [Content Brief]

[6]. Jensen J, et al. The toxic effects of benzyl glucosinolate and its hydrolysis product, the biofumigant benzyl isothiocyanate, to Folsomia fimetaria[J]. Environmental Toxicology and Chemistry, 2010, 29(2): 359-364. [Content Brief]

[7]. Pintão A M, et al. In vitro and in vivo antitumor activity of benzyl isothiocyanate: a natural product from Tropaeolum majus[J]. Planta Medica, 1995, 61(03): 233-236. [Content Brief]

[8]. Chuang W T, et al. Benzyl isothiocyanate ameliorates high-fat diet-induced hyperglycemia by enhancing Nrf2-dependent antioxidant defense-mediated IRS-1/AKT/TBC1D1 signaling and GLUT4 expression in skeletal muscle[J]. Journal of agricultural and food chemistry, 2020, 68(51): 15228-15238. [Content Brief]

[9]. Dinh T N, et al. Anticancer activities of dietary benzyl isothiocyanate: A comprehensive review[J]. Pharmacological Research, 2021, 169: 105666.

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	6.7020 mL	33.5098 mL	67.0196 mL	167.5491 mL
	5 mM	1.3404 mL	6.7020 mL	13.4039 mL	33.5098 mL
	10 mM	0.6702 mL	3.3510 mL	6.7020 mL	16.7549 mL
	15 mM	0.4468 mL	2.2340 mL	4.4680 mL	11.1699 mL
	20 mM	0.3351 mL	1.6755 mL	3.3510 mL	8.3775 mL
	25 mM	0.2681 mL	1.3404 mL	2.6808 mL	6.7020 mL
	30 mM	0.2234 mL	1.1170 mL	2.2340 mL	5.5850 mL
	40 mM	0.1675 mL	0.8377 mL	1.6755 mL	4.1887 mL
	50 mM	0.1340 mL	0.6702 mL	1.3404 mL	3.3510 mL
	60 mM	0.1117 mL	0.5585 mL	1.1170 mL	2.7925 mL
	80 mM	0.0838 mL	0.4189 mL	0.8377 mL	2.0944 mL
	100 mM	0.0670 mL	0.3351 mL	0.6702 mL	1.6755 mL

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Benzyl isothiocyanate

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All Antibiotic Isoforms

All Parasite Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

Benzyl isothiocyanate Related Classifications

Cat. No.: HY-77813