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161007-96-1, 4-Methylphenyl 4,6-O-benzylidene-b-D-thiogalactopyranoside, CAS:161007-96-1

161007-96-1 ,4-Methylphenyl 4,6-O-benzylidene-b-D-thiogalactopyranoside,
CAS:161007-96-1
C20H22O5S / 374.451
MFCD04973630

4-Methylphenyl 4,6-O-benzylidene-b-D-thiogalactopyranoside

4,6-O-苄叉-1-硫代-beta-D-对甲基苯基吡喃半乳糖苷,

4-Methylphenyl 4,6-O-benzylidene-beta-D-thiogalactopyranoside, abbreviated as MBTPS, is a chemical compound used in scientific experiments. This compound belongs to the class of the glycosides and is a thiogalactopyranoside derivative. It is a white crystalline solid, and its molecular formula is C20H22O5S. MBTPS has been used in various biochemical assays as a substrate for detecting enzymes such as beta-galactosidase. This compound is well known for its ability to mimic the natural substrate of the enzyme. The synthesis of MBTPS and its characterization has been of great interest to researchers in the field of glycoscience and biochemistry.

Physical and Chemical Properties:

The physical and chemical properties of MBTPS have been well studied. It is a white crystalline solid with a melting point of 151-153°C. MBTPS is insoluble in water, but soluble in organic solvents such as methanol, ethanol, and chloroform. The compound exhibits a characteristic UV absorption at 248 nm and a distinct IR absorption band at 1735 cm^-1. MBTPS is stable under acidic conditions but is hydrolyzed by basic or neutral conditions. The stability of MBTPS is affected by different factors such as temperature, concentration, and pH.

Synthesis and Characterization:

MBTPS can be synthesized using various methods, including the condensation reaction between 4-methylphenyl thiogalactopyranoside and benzaldehyde, followed by oxidation with potassium ferricyanide. The synthesized product can be characterized using various analytical techniques such as Nuclear Magnetic Resonance (NMR), Mass Spectrometry, Fourier Transform Infrared (FTIR) spectroscopy, and Thin Layer Chromatography (TLC).

Analytical Methods:

MBTPS can be detected and quantified using several analytical methods. High-performance liquid chromatography (HPLC) coupled with UV or fluorescence detection has been widely used to determine MBTPS in biological samples. Enzymatic spectrophotometric methods based on the hydrolysis of MBTPS by beta-galactosidase have also been used for screening enzyme activity. TLC combined with colorimetric or fluorescent visualization of MBTPS has also been employed for analyzing this compound.

Biological Properties:

MBTPS has been widely used in biochemical assays to detect the activity of beta-galactosidase enzyme, a commonly used reporter gene in many molecular biology experiments. MBTPS has also been used in drug design studies for developing inhibitors of beta-galactosidase. The compound has shown to have low toxicity in in-vitro studies, making it a suitable candidate for studying enzyme activity in living cells.

Toxicity and Safety in Scientific Experiments:

MBTPS has shown low toxicity in in vitro studies, and no significant adverse effects have been reported in animal studies. However, the compound should be handled with care, and appropriate safety measures should be taken during experiments to prevent inhalation, skin contact, or ingestion.

Applications in Scientific Experiments:

MBTPS is widely used in biochemical assays for detecting the activity of beta-galactosidase enzyme. The compound has also been employed in drug design studies for developing beta-galactosidase inhibitors. Additionally, MBTPS is an excellent substrate for various enzyme assays, and its use has been demonstrated in high throughput screening (HTS) assays.

Current State of Research:

MBTPS has been widely used in biochemical assays, drug discovery, and other applications. Ongoing research is focused on developing more efficient strategies for synthesizing MBTPS, improving its stability in various conditions, and exploring its potential applications in various fields.

Potential Implications in Various Fields of Research and Industry:

MBTPS has the potential to be used in many areas, including drug discovery, enzyme assay development, and molecular biology research. The compound can also be used in the development of analytical methods for glycoscience research.

Limitations and Future Directions:

One limitation of using MBTPS is its stability under various conditions. Future research should focus on improving the stability of MBTPS, as well as developing more efficient methods for synthesizing and characterizing this compound. Additionally, exploring the potential use of MBTPS in different fields of research and industry could be a future direction for this compound.

Future Directions:

-Developing more efficient methods for synthesizing MBTPS

-Improving the stability of MBTPS under various conditions

-Exploring the potential use of MBTPS in different fields of research and industry

-Developing new applications of MBTPS in medicine, bioengineering, and other fields

-Investigating the possible toxicity of MBTPS in long-term exposure

-Developing more efficient analytical methods for detecting MBTPS in biological samples.

CAS Number161007-96-1
Product Name4-Methylphenyl 4,6-O-benzylidene-beta-D-thiogalactopyranoside
IUPAC Name(4aR,6S,7R,8R,8aR)-6-(4-methylphenyl)sulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
Molecular FormulaC20H22O5S
Molecular Weight374.451
InChIInChI=1S/C20H22O5S/c1-12-7-9-14(10-8-12)26-20-17(22)16(21)18-15(24-20)11-23-19(25-18)13-5-3-2-4-6-13/h2-10,15-22H,11H2,1H3/t15-,16-,17-,18+,19?,20+/m1/s1
InChI KeyXIHVGCBDTUPQRQ-AKDAEUIJSA-N
SMILESCC1=CC=C(C=C1)SC2C(C(C3C(O2)COC(O3)C4=CC=CC=C4)O)O
Synonyms4-Methylphenyl 4,6-O-(Phenylmethylene)-1-thio-β-D-galactopyranoside;
CAS No: 161007-96-1 MDL No: MFCD04973630 Chemical Formula: C20H22O5S Molecular Weight: 374.451


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