Benzyl isothiocyanate

Name: Benzyl isothiocyanate
Brand: MedChemExpress
SKU: HY-77813
Rating: 4.5 (0 reviews)

Cat. No.: HY-77813 Purity: 99.62%: Data Sheet
COA

SDS
Handling Instructions
FAQs
Technical Support

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.

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Benzyl isothiocyanate 화학구조

CAS No. : 622-78-6

사이즈	재고	수량
Liquid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	해외재고보유	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	해외재고보유	Estimated Time of Arrival: December 31
Liquid
100 mg	해외재고보유	Estimated Time of Arrival: December 31
200 mg	견적 받기
500 mg	견적 받기

or 대량구매 문의

* 장바구니에 담기 전 물품의 수량을 선택해 주십시오.

This product is a controlled substance and not for sale in your territory.

고객리뷰

Based on 1 Customer Validation

Other Forms of Benzyl isothiocyanate:

Benzyl isothiocyanate-d₇ 견적 받기
Benzyl isothiocyanate (Standard) 견적 받기

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Biological Activity
순도&문서
References
고객리뷰

제품 설명

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	20.5 3 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]
A549	IC₅₀	20.5 3 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 3 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]
Caco-2	IC₅₀	15 3 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 3 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]
HT-1080	IC₅₀	> 50 3 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]
A549	IC₅₀	20.5 3 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]
LoVo	IC₅₀	10.5 3 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	10.5 3 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 3 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	12.3 3 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]
Caco-2	IC₅₀	15 3 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]
LoVo	IC₅₀	14.5 3 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]
LoVo	IC₅₀	14.5 3 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]
LoVo	IC₅₀	14.5 3 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 3 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]
HT-1080	IC₅₀	> 50 3 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	14.5 3 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 3 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]
MCF7	IC₅₀	18.9 3 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]
MCF7	IC₅₀	18.9 3 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 3 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]
LoVo	IC₅₀	10.5 3 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]
MDA-MB-231	IC₅₀	42 3 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]
LoVo	IC₅₀	12.3 3 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]
PC-3	IC₅₀	>50 3 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]
PC-3	IC₅₀	> 50 3 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 3 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]
T47D	IC₅₀	7.4 3 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]
LoVo	IC₅₀	14.5 3 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]
T98G	IC₅₀	>100 3 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]
T98G	IC₅₀	> 100 3 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]
LoVo	IC₅₀	14.5 3 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]
UACC-903	IC₅₀	15 3 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]
UACC-903	IC₅₀	15 3 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]
LoVo	IC₅₀	14.5 3 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 3 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 3 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 3 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 3 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 3 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 3 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.

분자량

149.21

화학식

C₈H₇NS

CAS No.

622-78-6

Appearance

Liquid (Density: 1.125 g/cm³ )

Color

Colorless to light yellow

SMILES

S=C=NCC1=CC=CC=C1

Structure Classification

Others

Initial Source

선적

Room temperature in continental US; may vary elsewhere.

보관

4°C, stored under nitrogen

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

용액&용해도

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)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

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

View the Complete Stock Solution Preparation Table

* 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.

몰농도 계산기
농도 희석 계산기

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

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

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

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

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

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).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

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

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

순도&문서

Purity: 99.62%

Select Batch:

Data Sheet (278 KB) SDS (618 KB)

COA (246 KB) HNMR (230 KB) GC (254 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.

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