66568-82-9

Basic information

• Product Name: (S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one
• Synonyms: (S)-7-(β-D-Glucopyranosylamino)-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one;(S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one;N-Deacetyl-10-demethoxy-N-(β-D-glucopyranosyl)-10-(methylthio)colchicine
• CAS NO: 66568-82-9
• Molecular Formula: C26H33NO9S
• Molecular Weight: 535.6065
• Mol File: 66568-82-9.mol
• Article Data: 0

Chemical Properties

• Melting Point: 190 °C (decomp)(Solv: ethanol, 85% (64-17-5))
• Boiling Point: 839.8°Cat760mmHg
• Flash Point: 461.7°C
• Appearance: /
• Density: 1.43g/cm³
• Vapor Pressure: 6.06E-30mmHg at 25°C
• Refractive Index: 1.656
• PKA: 13.21±0.70(Predicted)
• CAS DataBase Reference: (S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one(66568-82-9)
• EPA Substance Registry System: (S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one(66568-82-9)

Safety Data

• Hazardous Substances Data: 66568-82-9(Hazardous Substances Data)

Usage

Description

(S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one, also known as sulforaphane, is a complex chemical compound derived from cruciferous vegetables such as broccoli and Brussels sprouts. It contains a glucose molecule, an amino group, and a benzo[a]heptalen structure, which contribute to its potential medicinal properties. This natural product is being studied for its antioxidant, anti-inflammatory, and anticancer properties, with a focus on its potential role in cancer prevention and treatment. The presence of the glucose molecule also suggests that it may have bioavailability and therapeutic potential as a natural compound.

Uses

Used in Pharmaceutical Industry:
(S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one is used as a potential therapeutic agent for its antioxidant, anti-inflammatory, and anticancer properties. (S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one's structure and natural origin make it a promising candidate for the development of new drugs targeting various types of cancer.
Used in Nutritional Supplements:
In the nutritional supplement industry, (S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one is used as an ingredient for its potential health benefits, including cancer prevention and treatment. Its antioxidant and anti-inflammatory properties may also contribute to overall health and well-being.
Used in Agricultural Industry:
(S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one can be used in the agricultural industry to enhance the nutritional value of cruciferous vegetables, promoting their consumption for their health benefits. This may lead to increased demand for these vegetables and contribute to a healthier diet for consumers.
Used in Cosmetics Industry:
In the cosmetics industry, (S)-7-[(β-D-Glucopyranosyl)amino]-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one may be used as an active ingredient in anti-aging and skin care products due to its antioxidant and anti-inflammatory properties. These properties could help protect the skin from environmental damage and promote a healthier, more youthful appearance.

InChI:InChI=1/C26H33NO9S/c1-33-17-9-12-5-7-15(27-26-23(32)22(31)21(30)18(11-28)36-26)14-10-16(29)19(37-4)8-6-13(14)20(12)25(35-3)24(17)34-2/h6,8-10,15,18,21-23,26-28,30-32H,5,7,11H2,1-4H3/t15-,18?,21?,22?,23?,26?/m0/s1