The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 6-Methylnicotinic acid(SMILESS: O=C(O)C1=CN=C(C)C=C1,cas:3222-47-7) is researched.Application of 2923-28-6. The article 《Generating Multibillion Chemical Space of Readily Accessible Screening Compounds》 in relation to this compound, is published in iScience. Let’s take a look at the latest research on this compound (cas:3222-47-7).
An approach to the generation of ultra-large chem. libraries of readily accessible (‘REAL’) compounds is described. The strategy is based on the use of two- or three-step three-component reaction sequences and available starting materials with pre-validated chem. reactivity. After the preliminary parallel experiments, the methods with at least ~80% synthesis success rate (such as acylation – deprotection – acylation of monoprotected diamines e.g., 1-boc-amino-butyl-3-amine or amide formation e.g., N-(9-acetyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide – click reaction with functionalized azides e.g., 3-(azidomethyl)-piperidine) can be selected and used to generate the target chem. space. It is shown that by using only on the two aforementioned reaction sequences, a nearly 29-billion compound library is easily obtained. According to the predicted physico-chem. descriptor values, the generated chem. space contains large fractions of both drug-like and ‘beyond rule-of-five’ members, whereas the strictest lead-likeness criteria (the so-called Churcher’s rules) are met by the lesser part, which still exceeds 22 million.
There is still a lot of research devoted to this compound(SMILES：O=C(O)C1=CN=C(C)C=C1)Application of 3222-47-7, and with the development of science, more effects of this compound(3222-47-7) can be discovered.
Reference:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics