2. Anti-infection Apoptosis Autophagy Immunology/Inflammation NF-κB Metabolic Enzyme/Protease
  3. Bacterial Apoptosis Antibiotic Parasite Autophagy Reactive Oxygen Species (ROS)
  4. Benzyl isothiocyanate

Benzyl isothiocyanate  (Synonyms: イソチオシアン酸ベンジル; イソチオシアン酸ベンジル)

製品番号: HY-77813 純度: 99.62%
COA 取扱説明書 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

Benzyl isothiocyanate 構造式

CAS 番号 : 622-78-6

容量 価格（税別） 在庫状況 数量
Liquid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO
ready for reconstitution
 USD 55 在庫あり
Solution
10 mM * 1 mL in DMSO USD 55 在庫あり
Liquid
100 mg $50 在庫あり
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Other Forms of Benzyl isothiocyanate:

Benzyl isothiocyanate 関連抗体

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製品説明

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[1][2][3][4][5][6][7][8][9].

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]
体外実験

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.

Benzyl isothiocyanate 関連抗体

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.
体内実験

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.
分子量

149.21

分子式

C8H7NS
CAS 番号
Appearance

Liquid (Density: 1.125 g/cm3  )

Color

Colorless to light yellow

SMILES

S=C=NCC1=CC=CC=C1
Structure Classification
Initial Source
輸送条件

Room temperature in continental US; may vary elsewhere.
保管条件

4°C, stored under nitrogen

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

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.

  • Molarity Calculator

  • Dilution Calculator

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

Mass
=
Concentration
×
Volume
×
Molecular Weight *

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

一般には略語で表示されます：C1V1 = C2V2

濃度 （開始）

C1

×
体積 （開始）

V1

=
濃度 （終了）

C2

×
体積 （終了）

V2

体内:

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)

g

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.
純度とドキュメンテーション

純度: 99.62%

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

取扱説明書 (2659 KB)
参考文献

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.

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 Related Classifications

  • Molarity Calculator

  • Dilution Calculator

The molarity calculator equation

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

質量   濃度   体積   分子量 *
= × ×

The dilution calculator equation

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

一般には略語で表示されます：C1V1 = C2V2

濃度 （開始） × 体積 （開始） = 濃度 （終了） × 体積 （終了）
× = ×
C1   V1   C2   V2
Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Benzyl isothiocyanate622-78-6BacterialApoptosisAntibioticParasiteAutophagyReactive Oxygen Species (ROS)Bactericidalanti-cancerapoptosisinsulin sensitivityInhibitorinhibitorinhibit

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