| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
Brassinin has multiple molecular targets. It is an inhibitor of indoleamine 2,3-dioxygenase (IDO). It also inhibits IL-6-inducible STAT3 activation. In prostate cancer cells, brassinin induces apoptosis through the suppression of PI3K/Akt/mTOR/S6K1 signaling. It is also a Phase II enzyme inducer.
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|---|---|
| ln Vitro |
In vitro, brassinin has demonstrated significant anticancer activity against various cancer cell lines. It induces G1 phase cell cycle arrest and apoptosis in prostate cancer cells. It decreases mitochondrial membrane potential and suppresses caspase 3 and PARP activation. It also limits PI3K/Akt/mTOR signaling. In lung cancer cells, it inhibits constitutive and IL-6-inducible STAT3 signaling.
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| ln Vivo |
In vivo, brassinin has been shown to inhibit DMBA-induced skin tumor formation. It also attenuates tumor growth in a xenograft lung cancer mouse model. These effects are consistent with its anticancer and chemopreventive activities.
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| Enzyme Assay |
In vitro enzyme or receptor binding (non-cell) assays for brassinin involve studying its inhibition of IDO. The assay uses a purified recombinant IDO enzyme and a substrate (L-tryptophan). The production of kynurenine is measured spectrophotometrically. The compound is incubated with the enzyme and substrate, and the decrease in kynurenine production is measured to determine the IC50 or Ki.
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| Cell Assay |
In vitro cell-based assays for brassinin are performed using various cancer cell lines, such as prostate (PC-3) and lung cancer cells. Cells are treated with the compound, and cell viability, proliferation, and apoptosis are assessed using standard assays. Cell cycle analysis is performed using flow cytometry. The expression of target proteins is analyzed by Western blotting.
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| Animal Protocol |
In vivo animal experiments for brassinin are conducted using mouse models of cancer and skin carcinogenesis. In the xenograft model, mice bearing subcutaneous tumors are treated with the compound, and tumor volume is measured. In the skin carcinogenesis model, mice are treated with a carcinogen followed by brassinin, and the number of skin tumors is counted.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of brassinin have been characterized to support its use as a research tool. The compound has a molecular weight of 222.33 and a formula of C₁₁H₁₀N₂S₂. It is soluble in DMSO. Specific PK parameters, such as half-life and bioavailability, are determined in preclinical studies via LC-MS/MS analysis of plasma samples.
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| Toxicity/Toxicokinetics |
Toxicology (toxicology) data for brassinin are typical of a research compound. It is generally well-tolerated at effective doses. The safety profile is being evaluated in the context of its use as a research tool to study cancer and inflammation.
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| References |
Cho Y, Ohm RA, Devappa R, Lee HB, Grigoriev IV, Kim BY, Ahn JS. Transcriptional responses of the Bdtf1-deletion mutant to the phytoalexin brassinin in the necrotrophic fungus Alternaria brassicicola. Molecules. 2014 Jul 24;19(8):10717-32. doi: 10.3390/molecules190810717. PubMed PMID: 25061722.
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| Additional Infomation |
Brassinin is a dithiocarbamate and indole phytoalexin. It has been reported to be found in mustard greens, cabbage, and other organisms with relevant data.
Other information: Brassinin is a natural product found in cruciferous vegetables. It is being studied for its potential in cancer prevention and treatment. The compound is available from chemical suppliers for preclinical research purposes. |
| Molecular Formula |
C11H12N2S2
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|---|---|
| Molecular Weight |
236.35
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| Exact Mass |
236.044
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| Elemental Analysis |
C, 55.90; H, 5.12; N, 11.85; S, 27.13
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| CAS # |
105748-59-2
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| Related CAS # |
105748-59-2;
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| PubChem CID |
3035211
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
436.9±47.0 °C at 760 mmHg
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| Melting Point |
132-133ºC
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| Flash Point |
218.0±29.3 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.732
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| LogP |
2.74
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
15
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| Complexity |
233
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CSC(NCC1=CNC2=CC=CC=C12)=S
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| InChi Key |
QYKQWFZDEDFELK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
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| Chemical Name |
methyl ((1H-indol-3-yl)methyl)carbamodithioate
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| Synonyms |
Brassinine CCG-208623 CCG208623 CCG 208623 HE-005916 HE005916 HE 005916 HE-292778 HE292778 HE292778
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~50 mg/mL (~211.54 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 1.25 mg/mL (5.29 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 1.25 mg/mL (5.29 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2310 mL | 21.1551 mL | 42.3101 mL | |
| 5 mM | 0.8462 mL | 4.2310 mL | 8.4620 mL | |
| 10 mM | 0.4231 mL | 2.1155 mL | 4.2310 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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