82792-87-8 Usage
Description
(6-bromo-1,3-benzodioxol-5-yl)methanethiol is a chemical compound characterized by a benzodioxole ring with a bromine atom at the 6-position and a thiol group attached to the 5-position. This structure endows the molecule with a unique reactivity and versatility in chemical reactions, making it a valuable building block in organic synthesis and medicinal chemistry for the development of pharmaceuticals and agrochemicals.
Uses
Used in Organic Synthesis:
(6-bromo-1,3-benzodioxol-5-yl)methanethiol is used as a synthetic building block for the creation of various organic compounds. Its presence in the molecule allows for a range of chemical reactions, such as substitution, addition, and cross-coupling, which are essential in the synthesis of complex organic molecules.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, (6-bromo-1,3-benzodioxol-5-yl)methanethiol is used as a key intermediate in the development of pharmaceuticals. The aromatic benzodioxole ring system and the reactive bromine and thiol groups contribute to the compound's potential for influencing the chemical and biological properties of the resulting drug molecules, making it a promising candidate for drug discovery and design.
Used in Agrochemicals:
(6-bromo-1,3-benzodioxol-5-yl)methanethiol is also utilized in the agrochemical industry as a starting material for the synthesis of various agrochemical products. Its versatility in chemical reactions and the potential for creating bioactive molecules make it a valuable component in the development of new pesticides, herbicides, and other agricultural chemicals.
Overall, (6-bromo-1,3-benzodioxol-5-yl)methanethiol is a significant compound in the realms of chemistry and drug discovery, with applications spanning across organic synthesis, medicinal chemistry, and the agrochemical industry.
Check Digit Verification of cas no
The CAS Registry Mumber 82792-87-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,2,7,9 and 2 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 82792-87:
(7*8)+(6*2)+(5*7)+(4*9)+(3*2)+(2*8)+(1*7)=168
168 % 10 = 8
So 82792-87-8 is a valid CAS Registry Number.
82792-87-8Relevant articles and documents
Chalcogen containing heterocyclic scaffolds: New hybrids with antitumoral activity
Alcolea, Verónica,Plano, Daniel,Encío, Ignacio,Palop, Juan Antonio,Sharma, Arun K.,Sanmartín, Carmen
, p. 407 - 418 (2016/08/04)
In this work, 27 novel hybrid derivatives containing diverse substituents with chalcogen atoms (selenium or sulfur) and several active heterocyclic scaffolds have been synthesized. Compounds were tested against two human cancer cells lines (MCF7 and PC-3) and a normal human mammary epithelial cell line (184B5) in order to determine their activity and selectivity against malignant cells. Ten compounds showed GI50values below 10?μM in at least one of the cancer cell lines and six of them exhibited a selectivity index higher than 9. In general, selenium-containing compounds were more active than their corresponding sulfur analogs but we found some thiocyanate derivatives with comparable or higher activity and selectivity. Among the different substituents, the seleno- and thio-cyanate groups showed the most promising results. On the basis of their potent activity and high selectivity index, compounds 7e and 8f (containing a thiocyanate and a selenocyanate group, respectively) were selected for further biological evaluation. Both the compounds induced caspase-dependent cell death and cell cycle arrest in G2/M phase. In addition, these compounds do not violate any of the Lipinski's Rule of Five and thus possess good potential to become drugs, compound 7e being particularly promising.
