21414-41-5,MFCD08460269
Catalog No.:AA00BE2H

21414-41-5 | GLUCORAPHANIN

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$311.00   $218.00
- +
10mg
≥98%
in stock  
$502.00   $352.00
- +
25mg
≥98%
in stock  
$1,059.00   $742.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BE2H
Chemical Name:
GLUCORAPHANIN
CAS Number:
21414-41-5
Molecular Formula:
C12H23NO10S3
Molecular Weight:
437.5067
MDL Number:
MFCD08460269
SMILES:
OC[C@H]1O[C@@H](S/C(=N\OS(=O)(=O)O)/CCCCS(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Computed Properties
 
Complexity:
593  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-2.1  

Downstream Synthesis Route
4-methylsulthiobutylglucosinolate 
  21414-41-5 

[1]JournalofAgriculturalandFoodChemistry,2008,vol.56,p.875-883

[1]JournalofAgriculturalandFoodChemistry,2008,vol.56,p.875-883

Literature

Title: Sulforaphane as a potential protective phytochemical against neurodegenerative diseases.

Journal: Oxidative medicine and cellular longevity 20130101

Title: Novel concepts of broccoli sulforaphanes and disease: induction of phase II antioxidant and detoxification enzymes by enhanced-glucoraphanin broccoli.

Journal: Nutrition reviews 20121101

Title: Natural sulforaphane as a functional chemopreventive agent: including a review of isolation, purification and analysis methods.

Journal: Critical reviews in biotechnology 20120901

Title: Mass spectrometry imaging of glucosinolates in Arabidopsis flowers and siliques.

Journal: Phytochemistry 20120501

Title: Reducing progoitrin and enriching glucoraphanin in Brassica napus seeds through silencing of the GSL-ALK gene family.

Journal: Plant molecular biology 20120501

Title: Physiological and biochemical metabolism of germinating broccoli seeds and sprouts.

Journal: Journal of agricultural and food chemistry 20120111

Title: Modulation of the metabolism of airborne pollutants by glucoraphanin-rich and sulforaphane-rich broccoli sprout beverages in Qidong, China.

Journal: Carcinogenesis 20120101

Title: Glucoraphanin does not reduce plasma homocysteine in rats with sufficient Se supply via the induction of liver ARE-regulated glutathione biosynthesis enzymes.

Journal: Food & function 20111101

Title: Comparison of isothiocyanate metabolite levels and histone deacetylase activity in human subjects consuming broccoli sprouts or broccoli supplement.

Journal: Journal of agricultural and food chemistry 20111026

Title: Induction of epoxide hydrolase and glucuronosyl transferase by isothiocyanates and intact glucosinolates in precision-cut rat liver slices: importance of side-chain substituent and chirality.

Journal: Archives of toxicology 20110801

Title: Variation of glucoraphanin metabolism in vivo and ex vivo by human gut bacteria.

Journal: The British journal of nutrition 20110801

Title: Up-regulation of cytochrome P450 and phase II enzyme systems in rat precision-cut rat lung slices by the intact glucosinolates, glucoraphanin and glucoerucin.

Journal: Lung cancer (Amsterdam, Netherlands) 20110301

Title: Bioavailability of Sulforaphane from two broccoli sprout beverages: results of a short-term, cross-over clinical trial in Qidong, China.

Journal: Cancer prevention research (Philadelphia, Pa.) 20110301

Title: Generation of Se-fortified broccoli as functional food: impact of Se fertilization on S metabolism.

Journal: Plant, cell & environment 20110201

Title: Sulforaphane absorption and excretion following ingestion of a semi-purified broccoli powder rich in glucoraphanin and broccoli sprouts in healthy men.

Journal: Nutrition and cancer 20110101

Title: Of cabbages and kings.

Journal: Gut microbes 20110101

Title: Sulforophane glucosinolate. Monograph.

Journal: Alternative medicine review : a journal of clinical therapeutic 20101201

Title: Intact glucosinolates modulate hepatic cytochrome P450 and phase II conjugation activities and may contribute directly to the chemopreventive activity of cruciferous vegetables.

Journal: Toxicology 20101109

Title: Breakdown products of neoglucobrassicin inhibit activation of Nrf2 target genes mediated by myrosinase-derived glucoraphanin hydrolysis products.

Journal: Biological chemistry 20101101

Title: Glucoraphanin hydrolysis by microbiota in the rat cecum results in sulforaphane absorption.

Journal: Food & function 20101101

Title: Direct quantitation of glucoraphanin in dog and rat plasma by LC-MS/MS.

Journal: Journal of pharmaceutical and biomedical analysis 20100801

Title: Production of the cancer-preventive glucoraphanin in tobacco.

Journal: Molecular plant 20100701

Title: The isothiocyanate produced from glucomoringin inhibits NF-kB and reduces myeloma growth in nude mice in vivo.

Journal: Biochemical pharmacology 20100415

Title: HPLC method validation for measurement of sulforaphane level in broccoli by-products.

Journal: Biomedical chromatography : BMC 20100401

Title: Dietary glucoraphanin-rich broccoli sprout extracts protect against UV radiation-induced skin carcinogenesis in SKH-1 hairless mice.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20100401

Title: Quantitative determination of glucoraphanin in Brassica vegetables by micellar electrokinetic capillary chromatography.

Journal: Analytica chimica acta 20100317

Title: The impact of loss of myrosinase on the bioactivity of broccoli products in F344 rats.

Journal: Journal of agricultural and food chemistry 20100210

Title: [Sulforaphane (1-isothiocyanato-4-(methylsulfinyl)-butane) content in cruciferous vegetables].

Journal: Archivos latinoamericanos de nutricion 20090301

Title: Epithiospecifier protein activity in broccoli: the link between terminal alkenyl glucosinolates and sulphoraphane nitrile.

Journal: Phytochemistry 20081101

Title: Evaluation of the safety and bioactivity of purified and semi-purified glucoraphanin.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20080101

Title: Strong ion-exchange centrifugal partition chromatography as an efficient method for the large-scale purification of glucosinolates.

Journal: Journal of chromatography. A 20071102

Title: Improved hydrophilic interaction chromatography method for the identification and quantification of glucosinolates.

Journal: Journal of chromatography. A 20070622

Title: The metabolic fate of purified glucoraphanin in F344 rats.

Journal: Journal of agricultural and food chemistry 20070418

Title: The isolation and purification of glucoraphanin from broccoli seeds by solid phase extraction and preparative high performance liquid chromatography.

Journal: Journal of chromatography. A 20060707

Title: Glucoraphanin, the bioprecursor of the widely extolled chemopreventive agent sulforaphane found in broccoli, induces phase-I xenobiotic metabolizing enzymes and increases free radical generation in rat liver.

Journal: Mutation research 20060320

Title: Dietary approach to decrease aging-related CNS inflammation.

Journal: Nutritional neuroscience 20050401

Title: The effect of sulfur fertilizer on glucoraphanin levels in broccoli (B. oleracea L. var. italica) at different growth stages.

Journal: Journal of agricultural and food chemistry 20040505

Title: Heating decreases epithiospecifier protein activity and increases sulforaphane formation in broccoli.

Journal: Phytochemistry 20040501

Title: Glucoraphanin and 4-hydroxyglucobrassicin contents in seeds of 59 cultivars of broccoli, raab, kohlrabi, radish, cauliflower, brussels sprouts, kale, and cabbage.

Journal: Journal of agricultural and food chemistry 20040225

Title: Induction of cytochrome P450, generation of oxidative stress and in vitro cell-transforming and DNA-damaging activities by glucoraphanin, the bioprecursor of the chemopreventive agent sulforaphane found in broccoli.

Journal: Carcinogenesis 20040101

Title: Health-promoting compounds in broccoli as influenced by refrigerated transport and retail sale period.

Journal: Journal of agricultural and food chemistry 20030507

Title: The effect of post-harvest and packaging treatments on glucoraphanin concentration in broccoli (Brassica oleracea var. italica).

Journal: Journal of agricultural and food chemistry 20021204

Title: Comparison of the bioactivity of two glucoraphanin hydrolysis products found in broccoli, sulforaphane and sulforaphane nitrile.

Journal: Journal of agricultural and food chemistry 20011201

Title: Nagata N, et al. Glucoraphanin Ameliorates Obesity and Insulin Resistance Through Adipose Tissue Browning and Reduction of Metabolic Endotoxemia in Mice. Diabetes. 2017 May;66(5):1222-1236.

Title: Yao W, et al. Role of Keap1-Nrf2 signaling in depression and dietary intake of glucoraphanin confers stress resilience in mice. Sci Rep. 2016 Jul 29;6:30659.

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Tags:21414-41-5 Molecular Formula|21414-41-5 MDL|21414-41-5 SMILES|21414-41-5 GLUCORAPHANIN
Catalog No.: AA00BE2H
21414-41-5,MFCD08460269
21414-41-5 | GLUCORAPHANIN
Pack Size: 5mg
Purity: ≥98%
in stock
$311.00 $218.00
Pack Size: 10mg
Purity: ≥98%
in stock
$502.00 $352.00
Pack Size: 25mg
Purity: ≥98%
in stock
$1,059.00 $742.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BE2H
Chemical Name: GLUCORAPHANIN
CAS Number: 21414-41-5
Molecular Formula: C12H23NO10S3
Molecular Weight: 437.5067
MDL Number: MFCD08460269
SMILES: OC[C@H]1O[C@@H](S/C(=N\OS(=O)(=O)O)/CCCCS(=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity: 593  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 1  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 13  
Hydrogen Bond Donor Count: 5  
Rotatable Bond Count: 10  
Undefined Atom Stereocenter Count: 1  
XLogP3: -2.1  
Downstream Synthesis Route
4-methylsulthiobutylglucosinolate 
  21414-41-5 

[1]JournalofAgriculturalandFoodChemistry,2008,vol.56,p.875-883

21414-41-5    4478-93-7 

[1]JournalofAgriculturalandFoodChemistry,2008,vol.56,p.875-883

Literature fold

Title: Sulforaphane as a potential protective phytochemical against neurodegenerative diseases.

Journal: Oxidative medicine and cellular longevity20130101

Title: Novel concepts of broccoli sulforaphanes and disease: induction of phase II antioxidant and detoxification enzymes by enhanced-glucoraphanin broccoli.

Journal: Nutrition reviews20121101

Title: Natural sulforaphane as a functional chemopreventive agent: including a review of isolation, purification and analysis methods.

Journal: Critical reviews in biotechnology20120901

Title: Mass spectrometry imaging of glucosinolates in Arabidopsis flowers and siliques.

Journal: Phytochemistry20120501

Title: Reducing progoitrin and enriching glucoraphanin in Brassica napus seeds through silencing of the GSL-ALK gene family.

Journal: Plant molecular biology20120501

Title: Physiological and biochemical metabolism of germinating broccoli seeds and sprouts.

Journal: Journal of agricultural and food chemistry20120111

Title: Modulation of the metabolism of airborne pollutants by glucoraphanin-rich and sulforaphane-rich broccoli sprout beverages in Qidong, China.

Journal: Carcinogenesis20120101

Title: Glucoraphanin does not reduce plasma homocysteine in rats with sufficient Se supply via the induction of liver ARE-regulated glutathione biosynthesis enzymes.

Journal: Food & function20111101

Title: Comparison of isothiocyanate metabolite levels and histone deacetylase activity in human subjects consuming broccoli sprouts or broccoli supplement.

Journal: Journal of agricultural and food chemistry20111026

Title: Induction of epoxide hydrolase and glucuronosyl transferase by isothiocyanates and intact glucosinolates in precision-cut rat liver slices: importance of side-chain substituent and chirality.

Journal: Archives of toxicology20110801

Title: Variation of glucoraphanin metabolism in vivo and ex vivo by human gut bacteria.

Journal: The British journal of nutrition20110801

Title: Up-regulation of cytochrome P450 and phase II enzyme systems in rat precision-cut rat lung slices by the intact glucosinolates, glucoraphanin and glucoerucin.

Journal: Lung cancer (Amsterdam, Netherlands)20110301

Title: Bioavailability of Sulforaphane from two broccoli sprout beverages: results of a short-term, cross-over clinical trial in Qidong, China.

Journal: Cancer prevention research (Philadelphia, Pa.)20110301

Title: Generation of Se-fortified broccoli as functional food: impact of Se fertilization on S metabolism.

Journal: Plant, cell & environment20110201

Title: Sulforaphane absorption and excretion following ingestion of a semi-purified broccoli powder rich in glucoraphanin and broccoli sprouts in healthy men.

Journal: Nutrition and cancer20110101

Title: Of cabbages and kings.

Journal: Gut microbes20110101

Title: Sulforophane glucosinolate. Monograph.

Journal: Alternative medicine review : a journal of clinical therapeutic20101201

Title: Intact glucosinolates modulate hepatic cytochrome P450 and phase II conjugation activities and may contribute directly to the chemopreventive activity of cruciferous vegetables.

Journal: Toxicology20101109

Title: Breakdown products of neoglucobrassicin inhibit activation of Nrf2 target genes mediated by myrosinase-derived glucoraphanin hydrolysis products.

Journal: Biological chemistry20101101

Title: Glucoraphanin hydrolysis by microbiota in the rat cecum results in sulforaphane absorption.

Journal: Food & function20101101

Title: Direct quantitation of glucoraphanin in dog and rat plasma by LC-MS/MS.

Journal: Journal of pharmaceutical and biomedical analysis20100801

Title: Production of the cancer-preventive glucoraphanin in tobacco.

Journal: Molecular plant20100701

Title: The isothiocyanate produced from glucomoringin inhibits NF-kB and reduces myeloma growth in nude mice in vivo.

Journal: Biochemical pharmacology20100415

Title: HPLC method validation for measurement of sulforaphane level in broccoli by-products.

Journal: Biomedical chromatography : BMC20100401

Title: Dietary glucoraphanin-rich broccoli sprout extracts protect against UV radiation-induced skin carcinogenesis in SKH-1 hairless mice.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology20100401

Title: Quantitative determination of glucoraphanin in Brassica vegetables by micellar electrokinetic capillary chromatography.

Journal: Analytica chimica acta20100317

Title: The impact of loss of myrosinase on the bioactivity of broccoli products in F344 rats.

Journal: Journal of agricultural and food chemistry20100210

Title: [Sulforaphane (1-isothiocyanato-4-(methylsulfinyl)-butane) content in cruciferous vegetables].

Journal: Archivos latinoamericanos de nutricion20090301

Title: Epithiospecifier protein activity in broccoli: the link between terminal alkenyl glucosinolates and sulphoraphane nitrile.

Journal: Phytochemistry20081101

Title: Evaluation of the safety and bioactivity of purified and semi-purified glucoraphanin.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20080101

Title: Strong ion-exchange centrifugal partition chromatography as an efficient method for the large-scale purification of glucosinolates.

Journal: Journal of chromatography. A20071102

Title: Improved hydrophilic interaction chromatography method for the identification and quantification of glucosinolates.

Journal: Journal of chromatography. A20070622

Title: The metabolic fate of purified glucoraphanin in F344 rats.

Journal: Journal of agricultural and food chemistry20070418

Title: The isolation and purification of glucoraphanin from broccoli seeds by solid phase extraction and preparative high performance liquid chromatography.

Journal: Journal of chromatography. A20060707

Title: Glucoraphanin, the bioprecursor of the widely extolled chemopreventive agent sulforaphane found in broccoli, induces phase-I xenobiotic metabolizing enzymes and increases free radical generation in rat liver.

Journal: Mutation research20060320

Title: Dietary approach to decrease aging-related CNS inflammation.

Journal: Nutritional neuroscience20050401

Title: The effect of sulfur fertilizer on glucoraphanin levels in broccoli (B. oleracea L. var. italica) at different growth stages.

Journal: Journal of agricultural and food chemistry20040505

Title: Heating decreases epithiospecifier protein activity and increases sulforaphane formation in broccoli.

Journal: Phytochemistry20040501

Title: Glucoraphanin and 4-hydroxyglucobrassicin contents in seeds of 59 cultivars of broccoli, raab, kohlrabi, radish, cauliflower, brussels sprouts, kale, and cabbage.

Journal: Journal of agricultural and food chemistry20040225

Title: Induction of cytochrome P450, generation of oxidative stress and in vitro cell-transforming and DNA-damaging activities by glucoraphanin, the bioprecursor of the chemopreventive agent sulforaphane found in broccoli.

Journal: Carcinogenesis20040101

Title: Health-promoting compounds in broccoli as influenced by refrigerated transport and retail sale period.

Journal: Journal of agricultural and food chemistry20030507

Title: The effect of post-harvest and packaging treatments on glucoraphanin concentration in broccoli (Brassica oleracea var. italica).

Journal: Journal of agricultural and food chemistry20021204

Title: Comparison of the bioactivity of two glucoraphanin hydrolysis products found in broccoli, sulforaphane and sulforaphane nitrile.

Journal: Journal of agricultural and food chemistry20011201

Title: Nagata N, et al. Glucoraphanin Ameliorates Obesity and Insulin Resistance Through Adipose Tissue Browning and Reduction of Metabolic Endotoxemia in Mice. Diabetes. 2017 May;66(5):1222-1236.

Title: Yao W, et al. Role of Keap1-Nrf2 signaling in depression and dietary intake of glucoraphanin confers stress resilience in mice. Sci Rep. 2016 Jul 29;6:30659.

Building Blocks More >
23815-74-9
23815-74-9
1-(2,4,6-TRIMETHOXYPHENYL)-2-AMINO-PROPANE HYDROCHLORIDE
AA00BE8T | MFCD11044516
27237-21-4
27237-21-4
3-(4-Nitrophenoxy)benzoic acid
AA00BEDX | MFCD00690134
2244-60-2
2244-60-2
10,11-Dihydrodibenzo[b,f][1,4]oxazepine
AA00BEMC | MFCD00506428
27462-91-5
27462-91-5
5-(3-Methoxyphenyl)cyclohexane-1,3-dione
AA00BERB | MFCD06660538
266359-93-7
266359-93-7
Reparixin L-lysine
AA00BF1N | MFCD07772189
221877-54-9
221877-54-9
Zotarolimus
AA00BF5C | MFCD09752954
215940-96-8
215940-96-8
Trans-4-aminotetrahydrofuran-3-ol hydrochloride
AA00BFC2 | MFCD11520524
29936-86-5
29936-86-5
(4-Carbamoylphenoxy)acetic Acid
AA00BFJ4 | MFCD02600649
21984-93-0
21984-93-0
5-Methylfuran-3-carboxylic acid
AA00BG0S | MFCD00040790
21525-24-6
21525-24-6
2,4-DICHLORO-5-(3-TRIFLUOROMETHYL-PHENYLSULFAMOYL)-BENZOIC ACID
AA00BGCX | MFCD02720447
Submit
© 2017 AA BLOCKS, INC. All rights reserved.