| Identification | Back Directory | [Name]
SINIGRIN | [CAS]
3952-98-5 | [Synonyms]
SINIGRIN
Sinigrine
Ccris 3715
SINOGROSIDE
Mustard seed
sinigrin(1-)
(-)-Sinigrin
SINIGRIN hplc
GLUCOSINOLATE
beta-d-siumsal
Einecs 223-545-8
SINIGRIN, NATURAL
SINIGRIN WITH HPLC
POTASSIUM MYRONATE
allylglucosinolate
Sinigrin Potassium
Sinigrin Hydrate>
(-)-Sinigrin hydrate
2-propenylglucosinolate
Sinigrin potassium salt
PROP-2-ENYLGLUCOSINOLATE
(-)-sinigrin monohydrate
Allyl glucosinolate potassium
glucosideofallylisothiocyanate
(-)-SINIGRIN HYDRATE FROM HORSERADIS
(-)-Sinigrin hydrate from horseradish
Sinigrin hydrate, 98%, from Brassica juncea (L.) Czern.
1-Thio-β-D-glucopyranose 1-[N-(potassiosulfooxy)-3-buteneimidate]
1-Thio-β-D-glucopyranose 1-[N-(potassiooxysulfonyloxy)-3-buteneimidate]
potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate
beta-d-glucopyranose,1-thio-,1-(n-(sulfooxy)-3-butenimidate),monopotassium
1-Thio-beta-D-glucopyranose 1-[N-(sulfooxy)-3-butenimidate] potassium salt
glucopyranose,1-thio-,1-(3-butenohydroximate)no-(hydrogensulfate),monopotas
b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)
β-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)
beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-3-butenimidate), monopotassium salt (9ci)
Glucopyranose, 1-thio-, 1-(3-butenohydroximate) no-(hydrogensulfate), monopotassium salt, beta-D-
Glucopyranose, 1-thio-, 1-(3-butenohydroximate) no-(hydrogen sulfate), monopotassium salt, beta-D- (8ci) | [EINECS(EC#)]
223-545-8 | [Molecular Formula]
C10H16KNO9S2 | [MDL Number]
MFCD00006616 | [MOL File]
3952-98-5.mol | [Molecular Weight]
397.46 |
| Chemical Properties | Back Directory | [Melting point ]
128 (dec.)(lit.)
| [storage temp. ]
Hygroscopic, -20°C Freezer, Under inert atmosphere | [solubility ]
DMSO (Slightly), Methanol (Slightly), Water (Slightly) | [form ]
Solid | [color ]
White | [biological source]
plant (Brassica nigra) | [Optical Rotation]
[α]20/D 17±1°, c = 1% in H2O | [Water Solubility ]
almost transparency | [Merck ]
14,8545 | [Stability:]
Hygroscopic | [InChIKey]
IUBVMJHASFBYGW-WBMBWNLZSA-M | [SMILES]
[K+].[H]O[H].OC[C@H]1O[C@@H](S\C(CC=C)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O | [LogP]
1.049 (est) | [CAS DataBase Reference]
3952-98-5 |
| Safety Data | Back Directory | [Safety Statements ]
24/25 | [WGK Germany ]
3
| [RTECS ]
LZ5778000
| [HS Code ]
29389090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Skin Sens. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
White needle-shaped crystals, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from chili seeds, fried mustard seeds, and mustard seeds. | [Uses]
Sinigrin, a glucosinolate, is used as a systrate to identify, differentiate and characterize myrosinase(s)/thioglucoside glucohydrolase(s)/thioglucosidase(s). Sinigrin is used as a reference material in procedures for the isolation and identification of glucosinolates. | [Uses]
Sinigrine, is a glucosinolate which is found naturally in Cruciferae including the genus Brassica. When enzymatically hydrolysed, Sinigrine yields isothiocyanates and give a pungent taste. Both Sinigrine, and isothiocyanates, have been shown to have anticancer activity as well as antifungal and antibacterial properties. | [Definition]
ChEBI: An alkenylglucosinolate that is the conjugate base of sinigrin. | [Biochem/physiol Actions]
A β-D-thioglucopyranoside occurring in black mustard seeds and horseradish root. Substrate for thioglucosidase. | [in vivo]
Sinigrin (15-30 mg/kg; Oral administration; for 12 days) exerts protective and therapeutic effects on DSS?induced colitis, by enhancing the anti-oxidant enzymes and suppressing the intestinal inflammatory cascade of markers by regulating the MAPK pathway[2]. | Animal Model: | A dextran sulfate sodium (DSS)-induced mouse model[2] | | Dosage: | 15 mg/kg or 30 mg/kg | | Administration: | Oral administration; for 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. |
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