864265-77-0 Usage
Description
2-bromobenzo[d]thiazole-6-carbonitrile is a chemical compound with the molecular formula C9H4BrN3S. It is a derivative of thiazole, featuring a bromine atom and a nitrile group attached to the 6th carbon of the benzothiazole ring. 2-bromobenzo[d]thiazole-6-carbonitrile is known for its unique structure and properties, which make it a promising candidate for various applications in pharmaceuticals, agrochemicals, and materials science. Its versatility in chemical synthesis is further enhanced by the reactivity of the bromine atom, allowing for functionalization and modification.
Uses
Used in Pharmaceutical Industry:
2-bromobenzo[d]thiazole-6-carbonitrile is used as a building block in the synthesis of various organic compounds with biological relevance. Its unique structure and properties make it a valuable intermediate for the development of new pharmaceutical agents, potentially contributing to the discovery of novel therapeutics.
Used in Agrochemical Industry:
In the agrochemical sector, 2-bromobenzo[d]thiazole-6-carbonitrile is utilized as a key intermediate in the synthesis of agrochemicals. Its reactivity and structural features enable the creation of compounds with potential applications in crop protection, pest control, and other agricultural areas.
Used in Materials Science:
2-bromobenzo[d]thiazole-6-carbonitrile is employed in materials science for the development of new materials with specific properties. Its unique structure allows for the synthesis of compounds that can be used in various applications, such as in the creation of advanced materials with improved properties for use in different industries.
Used as a Chemical Intermediate:
2-bromobenzo[d]thiazole-6-carbonitrile is used as a versatile intermediate in chemical synthesis. The bromine atom in its structure confers reactivity that allows for functionalization and modification, making it a valuable component in the synthesis of a wide range of organic compounds with potential applications in various fields.
Check Digit Verification of cas no
The CAS Registry Mumber 864265-77-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,4,2,6 and 5 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 864265-77:
(8*8)+(7*6)+(6*4)+(5*2)+(4*6)+(3*5)+(2*7)+(1*7)=200
200 % 10 = 0
So 864265-77-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H3BrN2S/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H
864265-77-0Relevant articles and documents
Novel Cyano- And amidinobenzothiazole derivatives: Synthesis, antitumor evaluation, and X-ray and quantitative structure-activity relationship (QSAR) analysis
?aleta, Irena,Kralj, Marijeta,Marjanovi?, Marko,Berto?a, Branimir,Tomi?, Sanja,Pavlovi?, Gordana,Paveli?, Kre?imir,Karminski-Zamola, Grace
supporting information; experimental part, p. 1744 - 1756 (2010/02/16)
Synthesis of a series of novel cyano-and amidinobenzothiazole derivatives 3-31 is described. All studied amidino derivatives showed noticeable antiproliferative effect on several tumor cell lines. Cyano derivatives 11-17 showed considerably less pronounced activity because of their poor solubility in aqueous cell culture medium, which was confirmed by the principal components (PC) analysis. Compounds 21, 22, 28, and 29 were tested for their effects on the cell cycle and apoptosis, whereby 22 and 29, having methyl group at the C-6 position in pyridine ring, showed drastic cell cycle perturbations that were both concentration- and time-dependent and induced apoptosis. The QSAR modeling, based on the physicochemical descriptors and on the measured biological activities, indicated the relevance of molecular polarizability and particular distribution of pharmacophores on the molecular surface for activity. In conclusion, benzothiazoles containing either isopropylamidino or imidazolyl groups will be considered as starting compounds for further investigation on lead identification.
