661458-28-2 Usage
Description
Ethyl 3-methoxy-5-cyanobenzoate is a chemical compound with the molecular formula C11H11NO3. It is a derivative of benzoic acid, containing a methoxy group at the 3-position and a cyano group at the 5-position. This versatile chemical is widely used in various industries due to its unique properties and potential applications.
Uses
Used in Organic Synthesis:
Ethyl 3-methoxy-5-cyanobenzoate is used as a building block in organic synthesis for the creation of various pharmaceuticals and agrochemicals. Its unique structure allows for the development of new compounds with potential therapeutic and agricultural benefits.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, ethyl 3-methoxy-5-cyanobenzoate is utilized as a key intermediate for the synthesis of pharmaceuticals. Its presence in the molecular structure can contribute to the desired biological activities and therapeutic effects of the final drug product.
Used in Flavoring Agents:
Ethyl 3-methoxy-5-cyanobenzoate is used as a flavoring agent in food products. Its unique taste profile can enhance the flavor of various food items, providing a pleasant sensory experience for consumers.
Used in Dyes and Pigments Production:
This chemical compound is also used as an intermediate in the production of dyes and pigments. Its chemical properties make it suitable for the development of colorants used in various industries, including textiles, plastics, and printing.
Used in Drug Discovery and Development:
Due to its potential biological activities, ethyl 3-methoxy-5-cyanobenzoate is a target for drug discovery and development. Researchers are exploring its potential as a lead compound for the development of new drugs with therapeutic applications.
Check Digit Verification of cas no
The CAS Registry Mumber 661458-28-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,6,1,4,5 and 8 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 661458-28:
(8*6)+(7*6)+(6*1)+(5*4)+(4*5)+(3*8)+(2*2)+(1*8)=172
172 % 10 = 2
So 661458-28-2 is a valid CAS Registry Number.
InChI:InChI=1/C11H11NO3/c1-3-15-11(13)9-4-8(7-12)5-10(6-9)14-2/h4-6H,3H2,1-2H3
661458-28-2Relevant articles and documents
Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping
Doig, Peter,Boriack-Sjodin, P. Ann,Dumas, Jacques,Hu, Jun,Itoh, Kenji,Johnson, Kenneth,Kazmirski, Steven,Kinoshita, Tomohiko,Kuroda, Satoru,Sato, Tomo-O,Sugimoto, Kaori,Tohyama, Katsumi,Aoi, Hiroshi,Wakamatsu, Kazusa,Wang, Hongming
supporting information, p. 6256 - 6269 (2015/01/08)
An aminoquinazoline series targeting the essential bacterial enzyme GlmU (uridyltransferase) were previously reported (Biochem. J. 2012, 446, 405). In this study, we further explored SAR through a combination of traditional medicinal chemistry and structure-based drug design, resulting in a novel scaffold (benzamide) with selectivity against protein kinases. Virtual screening identified fragments that could be fused into the core scaffold, exploiting additional binding interactions and thus improving potency. These efforts resulted in a hybrid compound with target potency increased by a 1000-fold, while maintaining selectivity against selected protein kinases and an improved level of solubility and protein binding. Despite these significant improvements no significant antibacterial activity was yet observed within this class.
Hydroxylated 1,2,4-oxadiazole benzoic acid compounds, composistions thereof and the use for nonsense suppression
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Page/Page column 10, (2008/12/06)
Novel hydroxylated 1,2,4-oxadiazole benzoic acid compounds, methods of using and pharmaceutical compositions comprising a hydroxylated 1,2,4-oxadiazole benzoic acid derivative are disclosed. The methods include methods of treating or preventing a disease
