ChemicalBook--->CAS DataBase List--->105748-59-2

105748-59-2

105748-59-2 Structure

105748-59-2 Structure
IdentificationBack Directory
[Name]

BRASSININ
[CAS]

105748-59-2
[Synonyms]

BRASSININ
Brassinine
N-(1H-Indol-3-ylMethyl)carbaModithioic Acid
methyl ((1H-indol-3-yl)methyl)carbamodithioate
1H-Indole-3-ylmethyldithiocarbamic acid methyl ester
1H-(INDOL-3-YLMETHYL)-DITHIOCARBAMIC ACID, METHYL ESTER
[(1H-Indole-3-yl)methyl]dithiocarbamic acid methyl ester
N-[(1H-Indol-3-yl)methyl]dithiocarbamic acid methyl ester
Carbamodithioic acid, N-(1H-indol-3-ylmethyl)-, methyl ester
[Molecular Formula]

C11H12N2S2
[MDL Number]

MFCD01632490
[MOL File]

105748-59-2.mol
[Molecular Weight]

236.36
Chemical PropertiesBack Directory
[Melting point ]

142-144°C
[storage temp. ]

-20°C Freezer, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[color ]

Off-White to Pale Yellow
[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)
[InChIKey]

QYKQWFZDEDFELK-UHFFFAOYSA-N
[SMILES]

S=C(SC)NCC1=CNC2=C1C=CC=C2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Off-White to Pale Yellow Solid
[Uses]

A biosynthetic precursor of Brassilexin
[Uses]

Brassinin is a plant metabolite of great significance due to its dual role both as an effective phytoalexin and as an early biosynthetic precursor of the majority of the phytoalexins produced by plants of the family Brassicaceae (Cruciferae).
[Definition]

ChEBI: Brassinin is a dithiocarbamic ester and an indole phytoalexin.
[Biological Activity]

Brassinin is a phytoalexin isolated from cruciferous vegetables th at exhibits anticancerchemopreventiveantiproliferative and antifungal activities. In lung cancer cellsbrassinin inhibits constitutive and IL-6-inducible STAT3 signaling through modulation of PIAS-3 and SOCS-3. It appears th at brassinin induces apoptosis in PC-3 prostate cancer cells via the suppression of PI3K/Akt/mTOR/S6K1 signaling.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

BRASSININ(105748-59-2)1HNMR
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