Cat. No.: HY-N2423

Sinigrin hydrate

(Synonyms: Allyl-glucosinolate hydrate; 2-Propenyl-glucosinolate hydrate)

4 Cited Publications

Customer Review

Based on 4 publication(s) in Google Scholar

Sinigrin (Allyl-glucosinolate) hydrate is an orally active glucosinolate found in cruciferous plants. Sinigrin hydrate possesses multiple activities such as anti-cancer, antibacterial, antifungal, anti-inflammatory, antioxidant, and inhibition of fat synthesis. Sinigrin hydrate can be used in the research of tumors, inflammatory, and metabolic diseases.

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

Purity: 99.92%
CAS No.: 64550-88-5
Formula: C₁₀H₁₈KNO₁₀S₂
Molecular Weight:415.48

Storage:

-20°C, sealed storage, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Sinigrin hydrate Chemical Structure

CAS No.: 64550-88-5

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Fluorescent Dye

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

Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Publications (4)
Solvent & Solubility
- In Vitro
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target^[1]^[2]

PPARγ

IL-6

IL-1β

CDK4

CDK6

All p38 MAPK Isoforms :

All AMPK Isoforms :

All Interleukin Related Isoforms :

All PPAR Isoforms :

All CDK Isoforms :

All PI3K Isoforms :

All Akt Isoforms :

All mTOR Isoforms :

In Vitro

Sinigrin (1-100 μg/mL; 1-8 days) hydrate inhibits lipid accumulation, downregulates the expression of adipogenesis-related genes, suppresses the production of pro-inflammatory cytokines (TNF-α, IL-6, IL-1β, IL-18), and induces cell cycle arrest in 3T3-L1 cells. The mechanism involves activation of the AMPK pathway and inhibition of the MAPK pathway^[1].
Sinigrin (5-30 μM; 24-48 h) hydrate induces cell cycle arrest in the S phase and promotes apoptosis, while triggering ROS-dependent oxidative stress damage by inhibiting PI3K/AKT/mTOR phosphorylation in MCF-7 cells^[2].

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

Cell Cycle Analysis^[1]

Cell Line:

3T3-L1 adipocytes
Concentration:

100 μg/mL
Incubation Time:

24 h
Result:

Arrested cells in the G0/G1phase of the cell cycle and increased the expression of p21 and p27.

Western Blot Analysis^[1]

Cell Line:

3T3-L1 adipocytes
Concentration:

1, 10, and 100 μg/mL
Incubation Time:

8 days
Result:

Remarkably inhibited the accumulation of lipid droplets and adipogenesis by downregulating the expression of CCAAT-enhancer-binding protein α (C/EBPα), PPARγ, leptin and aP2.

RT-PCR^[1]

Cell Line:

3T3-L1 adipocytes
Concentration:

100 μg/mL
Incubation Time:

24 h
Result:

Inhibited the production of pro-inflammatory cytokines including TNF-α and IL-6, IL-1β and IL-18.

Western Blot Analysis^[2]

Cell Line:

MCF-7 cells
Concentration:

20 μM
Incubation Time:

24 and 48 h
Result:

Inhibited the levels of cyclin-D1, PCNA, CDK4, and CDK6.

In Vivo

Sinigrin (15-30 mg/kg; oral administration; 12 days) hydrate exerts anti-inflammatory and ameliorative effects in DSS (HY-116282C)-induced ulcerative colitis mouse models^[3].

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

Animal Model:

Male BALB/c mice (20-25 gm) treated DSS (HY-116282C)^[3]
Dosage:

15 and 30 mg/kg
Administration:

Oral administration; 12 days
Result:

Significantly mitigated the DSS-induced body weight loss, attenuated the colon length shrinkage, and improved the disease index score.
Successfully abrogated the DSS-induced IL-17 levels and improved the colonic barrier in colon tissues.

Chemical Information

CAS No. 64550-88-5
Appearance Solid
Molecular Weight 415.48
Formula C₁₀H₁₈KNO₁₀S₂
Color White to off-white
SMILES

O[C@@H]1[C@@H](O)[C@H](S/C(CC=C)=N/OS(=O)(O[K])=O)O[C@H](CO)[C@H]1O.O
Synonyms

Allyl-glucosinolate hydrate; 2-Propenyl-glucosinolate hydrate
Structure Classification
- Glucosinolates
Initial Source
- Plants
- other families
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

-20°C, sealed storage, away from moisture

* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)

Publications (4)

All Cell Proliferation/Viability AssayCell Imaging/StainingWB

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Journal Impact Factor

Food Chem X

Magnetic field-assisted blanching enhances sulforaphane synthesis in broccoli florets, revealed by UPLC-ESI-QTRAP-MS/MS. [Abstract]

2026 Feb 20:34:103689. PMID: 41777636
Phytother Res

Identification of Sinigrin as Active Compound of Rape Pollen for Treating Benign Prostatic Hyperplasia Through PI3K/AKT/mTOR Axis. [Abstract]

2025 May 8. PMID: 40343383

Sinigrin hydrate purchased from MedChemExpress. Usage Cited in: Phytother Res. 2025 May 8. [Abstract]

Cell proliferation of BPH-1 cells after treating by Sinigrin (10, 50, 100 μM) for 48h.

Sinigrin hydrate purchased from MedChemExpress. Usage Cited in: Phytother Res. 2025 May 8. [Abstract]

Cloning efficiency of BPH-1 treated with LPS and Sinigrin (50, 100 μM) for 7days.

Sinigrin hydrate purchased from MedChemExpress. Usage Cited in: Phytother Res. 2025 May 8. [Abstract]

Western Blot analysis of PI3K/AKT/mTOR pathway in RWPE-1 and BPH-1 cells after treating with 50μM Sinigrin for 48h.
Lebensm Wiss Technol

2025 Dec 23.
Plant Physiol Biochem

Exploring the mechanism of blindness physiopathy in Brassica oleracea var italica L. by comprehensive transcriptomics and metabolomics analysis. [Abstract]

2024 Jan:206:108304. PMID: 38159550

Solvent & Solubility

In Vitro:

H₂O : ≥ 50 mg/mL (120.34 mM)

* "≥" means soluble, but saturation unknown.

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

2.4069 mL

12.0343 mL

24.0685 mL

5 mM

0.4814 mL

2.4069 mL

4.8137 mL

10 mM

0.2407 mL

1.2034 mL

2.4069 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 (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

Molarity Calculator

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

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Dilution Calculator

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Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (285 KB)
SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 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]. Lee HW, et al. Inhibitory effect of sinigrin on adipocyte differentiation in 3T3-L1 cells: Involvement of AMPK and MAPK pathways. Biomed Pharmacother. 2018 Jun;102:670-680. [Content Brief]

[2]. Li S, et al. Sinigrin Impedes the Breast Cancer Cell Growth through the Inhibition of PI3K/AKT/mTOR Phosphorylation-Mediated Cell Cycle Arrest. J Environ Pathol Toxicol Oncol. 2022;41(3):33-43. [Content Brief]

[3]. Rama Satya Sri Kotipalli, et al. Sinigrin Attenuates the Dextran Sulfate Sodium-induced Colitis in Mice by Modulating the MAPK Pathway. Inflammation. 2023 Jun;46(3):787-807. [Content Brief]

[4]. Mazumder A, et, al. Sinigrin and Its Therapeutic Benefits. Molecules. 2016 Mar 29;21(4):416. [Content Brief]

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
H₂O	1 mM	2.4069 mL	12.0343 mL	24.0685 mL	60.1714 mL
	5 mM	0.4814 mL	2.4069 mL	4.8137 mL	12.0343 mL
	10 mM	0.2407 mL	1.2034 mL	2.4069 mL	6.0171 mL
	15 mM	0.1605 mL	0.8023 mL	1.6046 mL	4.0114 mL
	20 mM	0.1203 mL	0.6017 mL	1.2034 mL	3.0086 mL
	25 mM	0.0963 mL	0.4814 mL	0.9627 mL	2.4069 mL
	30 mM	0.0802 mL	0.4011 mL	0.8023 mL	2.0057 mL
	40 mM	0.0602 mL	0.3009 mL	0.6017 mL	1.5043 mL
	50 mM	0.0481 mL	0.2407 mL	0.4814 mL	1.2034 mL
	60 mM	0.0401 mL	0.2006 mL	0.4011 mL	1.0029 mL
	80 mM	0.0301 mL	0.1504 mL	0.3009 mL	0.7521 mL
	100 mM	0.0241 mL	0.1203 mL	0.2407 mL	0.6017 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

Sinigrin hydrate

4 Cited Publications

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Sinigrin hydrate

Anti-Infection Compound Library

Apoptosis Compound Library

Cell Cycle/DNA Damage Compound Library

Epigenetics Compound Library

Immunology/Inflammation Compound Library

Kinase Inhibitor Library

MAPK Compound Library

Metabolism/Protease Compound Library

NF-κB Signaling Compound Library

PI3K/Akt/mTOR Compound Library

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Transcription Factor-Targeted Library

Lipid Metabolism Compound Library

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Publications Citing Use of MedChemExpress (MCE) Sinigrin hydrate

All p38 MAPK Isoforms