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147948-52-5, 2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosyl isothiocyanate ,CAS:147948-52-5

147948-52-5, 2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosyl isothiocyanate ,
CAS:147948-52-5
C27H43NO9S / 557.697
MFCD00216622

2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosyl isothiocyanate

2,3,4,6-四-O-叔戊酰基-β-D-异硫氰酸吡喃半乳糖酯,

2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosyl isothiocyanate (abbreviated TPITC) is a synthetic compound derived from the natural molecules in garlic. It belongs to the family of organosulfur compounds. TPITC has shown promising results in scientific experiments for its potential health-promoting and disease-preventing properties.

Synthesis and Characterization:

TPITC is synthesized from allicin, a natural molecule found in garlic. The allicin is converted into its precursor compound, alliin, which is then reacted with pivalic anhydride to produce TPITC. The purity and identity of TPITC can be confirmed using analytical methods such as high-performance liquid chromatography and mass spectrometry.

Analytical Methods:

TPITC can be analyzed using various methods such as high-performance liquid chromatography, gas chromatography-mass spectrometry, and nuclear magnetic resonance spectroscopy. These methods can confirm the purity, identity, and structure of TPITC.

Biological Properties:

TPITC has shown potential in several scientific experiments. It has been reported to exhibit antitumor, antibacterial, antioxidant, and anti-inflammatory properties. It has also been found to protect against liver damage and support cardiovascular health in animal studies.

Toxicity and Safety in Scientific Experiments:

TPITC has been tested in various animal studies, which have shown no adverse effects of the compound. The toxicity of TPITC is low, and it has been well-tolerated in animal studies. However, further research is needed to determine the safety of TPITC in humans.

Applications in Scientific Experiments:

TPITC has shown potential in several areas of research, including cancer treatment, infectious disease prevention, and oxidative stress reduction. It has also been used as a tool for studying biological pathways and mechanisms.

Current State of Research:

The research on TPITC is still in its early stages, and much work needs to be done before it can be used in clinical applications. Studies on the metabolic pathways and therapeutic potential of TPITC are ongoing.

Potential Implications in Various Fields of Research and Industry:

TPITC has potential applications in various fields such as medicine, agriculture, and biotechnology. It can be used as an anticancer agent, natural pesticide, or bioactive additive in food products.

Limitations and Future Directions:

Although TPITC shows promising results in scientific experiments, its limited solubility and stability in aqueous solutions pose challenges in developing it for clinical use. Further research is needed to establish the safety of TPITC in human trials, optimize its synthesis, and evaluate its efficacy in various disease models.

Future Directions:

1. Developing delivery systems to improve the bioavailability and stability of TPITC in aqueous solutions.

2. Investigating the mechanisms of the biological activities of TPITC to identify potential therapeutic targets.

3. Evaluating the safety and efficacy of TPITC in human clinical trials for cancer and other diseases.

4. Examining the potential of TPITC as a natural pesticide and food preservative.

5. Exploring the industrial applications of TPITC in the biotechnology and pharmaceutical industries.

CAS Number147948-52-5
Product Name2,3,4,6-Tetra-O-pivaloyl-b-D-galactopyranosyl isothiocyanate
IUPAC Name[(2R,3S,4S,5R,6R)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-isothiocyanatooxan-2-yl]methyl 2,2-dimethylpropanoate
Molecular FormulaC27H43NO9S
Molecular Weight557.697 g/mol
InChIInChI=1S/C27H43NO9S/c1-24(2,3)20(29)33-13-15-16(35-21(30)25(4,5)6)17(36-22(31)26(7,8)9)18(19(34-15)28-14-38)37-23(32)27(10,11)12/h15-19H,13H2,1-12H3/t15-,16+,17+,18-,19-/m1/s1
InChI KeyQCEYERYMOHEQHK-ICBNADEASA-N
SMILESCC(C)(C)C(=O)OCC1C(C(C(C(O1)N=C=S)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
Canonical SMILESCC(C)(C)C(=O)OCC1C(C(C(C(O1)N=C=S)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
Isomeric SMILESCC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N=C=S)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
CAS No: 147948-52-5 MDL No: MFCD00216622 Chemical Formula: C27H43NO9S Molecular Weight: 557.697


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