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Glucoraphanin

Cat No.:V31629 Purity: ≥98%
Glucoraphanin is a glucosinolate found in cruciferous vegetables and is the precursor of the Nrf2 inducer sulforaphane, which has antioxidant, anti~inflammatory, and anti-cancer effects.
Glucoraphanin
Glucoraphanin Chemical Structure CAS No.: 21414-41-5
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Glucoraphanin is a glucosinolate found in cruciferous vegetables and is the precursor of the Nrf2 inducer sulforaphane, which has antioxidant, anti~inflammatory, and anti-cancer effects.
Biological Activity I Assay Protocols (From Reference)
ln Vivo
In mice fed a high-fat diet, sulforaphane decreases body weight growth and improves energy expenditure. In mice given a high-fat diet, sulforaphane enhances insulin sensitivity and glucose tolerance. Nevertheless, in Nrf2−/− mice, sulforaphane has neither anti-obesity or insulin-sensitizing effects. In wild-type mice's white adipose depots, sulforaphane can prevent the HFD-induced decline in Ucp1 protein levels, but not in Nrf2−/− mice. Sulforaphane can lessen oxidative stress and hepatic steatosis brought on by an HFD. In the liver and adipose tissue, glucoseraphanin prevents HFD-induced pro-inflammatory macrophage activation. Moreover, sulforaphane lowers the proportion of Proteobacteria and LPS in the gut microbiome of mice given a high-fat diet [1]. The shortening of the social avoidance period in stressed mice was dramatically decreased when mice were fed pellets containing 0.1% glucoraphanin (GF). Treatment with pellets containing 0.1% GF significantly reduced the reduction in sucrose preference in stressed mice in the 1% sucrose preference test (SPT) [2].
References

[1]. Glucoraphanin Ameliorates Obesity and Insulin Resistance Through Adipose Tissue Browning and Reduction of Metabolic Endotoxemia in Mice. Diabetes. 2017 May;66(5):1222-1236.

[2]. Role of Keap1-Nrf2 signaling in depression and dietary intake of glucoraphanin confers stress resilience in mice. Sci Rep. 2016 Jul 29;6:30659.

Additional Infomation
Glucoraphanin is under investigation in clinical trial NCT01879878 (Pilot Study Evaluating Broccoli Sprouts in Advanced Pancreatic Cancer [POUDER Trial]).
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C12H23NO10S3
Molecular Weight
437.5067
Exact Mass
436.041
CAS #
21414-41-5
PubChem CID
9548634
Appearance
White to light yellow solid powder
LogP
-0.53
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
13
Rotatable Bond Count
10
Heavy Atom Count
26
Complexity
593
Defined Atom Stereocenter Count
5
SMILES
CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChi Key
GMMLNKINDDUDCF-RFOBZYEESA-N
InChi Code
InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
Chemical Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
H2O : ≥ 76.5 mg/mL (~174.85 mM)
Solubility (In Vivo)
Solubility in Formulation 1: 100 mg/mL (228.57 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.2857 mL 11.4283 mL 22.8566 mL
5 mM 0.4571 mL 2.2857 mL 4.5713 mL
10 mM 0.2286 mL 1.1428 mL 2.2857 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.

Calculator

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g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
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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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