800402-12-4Relevant articles and documents
Organic compound, electroluminescent device containing organic compound and applications of electroluminescent device
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Paragraph 0115-0117, (2020/06/17)
The invention discloses an organic compound with a structure represented by a formula (I), wherein the LUMO energy level of the compound is reduced by linking an aza aromatic ring structure (a structure represented by a formula (II)), so that the electronic conductivity of the material is improved, and the compound is suitable for being used as an electronic material (such as an electron transportmaterial, an electron injection material, a hole blocking material and the like). According to the invention, the organic compound as an electron type material, particularly an electron transmissionmaterial, can be matched with hole type materials (such as a hole transmission material, a hole injection material and an electron blocking material), so that the transmission of electrons and holes is balanced, and the service life of a device is prolonged.
Synthesis, molecular docking, antimycobacterial and antimicrobial evaluation of new pyrrolo[3,2-c]pyridine Mannich bases
Jose, Gilish,Suresha Kumara, Tholappanavara H.,Sowmya, Haliwana B.V.,Sriram, Dharmarajan,Guru Row, Tayur N.,Hosamani, Amar A.,More, Sunil S.,Janardhan, Bhavya,Harish,Telkar, Sandeep,Ravikumar, Yalegara Siddappa
, p. 275 - 288 (2017/03/24)
In this report, we describe the synthesis and biological evaluation of a new series of pyrrolo[3,2-c]pyridine Mannich bases (7a-v). The Mannich bases were obtained in good yields by one-pot three component condensation of pyrrolo[3,2-c]pyridine scaffold (6a-c) with secondary amines and excess of formaldehyde solution in AcOH. The chemical structures of the compounds were characterized by 1H NMR, 13C NMR, LC/MS and elemental analysis. Single crystal X-ray diffraction has been recorded for compound 7k ([C23H29ClN4]+2, H2O). The in?vitro antimicrobial activities of the compounds were evaluated against various bacterial and fungal strains using Agar diffusion method and Broth micro dilution method. Compounds 7e, 7f, 7r, 7t, and 7u were showed good Gram-positive antibacterial activity against S.?aureus, B. flexus, C. sporogenes and S. mutans. Furthermore, in?vitro antimycobacterial activity was evaluated against Mycobacterium tuberculosis H37Rv (ATCC 27294) using MABA. Compounds 7r, 7t, and 7u were showed good antitubercular activity against Mtb (MIC ≥6.25?μg/mL). Among the tested compounds, 1-((4-chloro-2-(cyclohexylmethyl)-1H-pyrrolo[3,2-c]pyridin-3-yl)methyl)piperidine-3-carboxamide (7t) was showed excellent antimycobacterial activity against Mtb (MIC >25). Molecular docking of the active compounds against glutamate racemase (MurI) and Mtb glutamine synthetase were explained the structure-activity observed in?vitro.
Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737)
Osborne, James D.,Matthews, Thomas P.,McHardy, Tatiana,Proisy, Nicolas,Cheung, Kwai-Ming J.,Lainchbury, Michael,Brown, Nathan,Walton, Michael I.,Eve, Paul D.,Boxall, Katherine J.,Hayes, Angela,Henley, Alan T.,Valenti, Melanie R.,De Haven Brandon, Alexis K.,Box, Gary,Jamin, Yann,Robinson, Simon P.,Westwood, Isaac M.,Van Montfort, Rob L. M.,Leonard, Philip M.,Lamers, Marieke B. A. C.,Reader, John C.,Aherne, G. Wynne,Raynaud, Florence I.,Eccles, Suzanne A.,Garrett, Michelle D.,Collins, Ian
supporting information, p. 5221 - 5237 (2016/07/06)
Multiparameter optimization of a series of 5-((4-aminopyridin-2-yl)amino)pyrazine-2-carbonitriles resulted in the identification of a potent and selective oral CHK1 preclinical development candidate with in vivo efficacy as a potentiator of deoxyribonucleic acid (DNA) damaging chemotherapy and as a single agent. Cellular mechanism of action assays were used to give an integrated assessment of compound selectivity during optimization resulting in a highly CHK1 selective adenosine triphosphate (ATP) competitive inhibitor. A single substituent vector directed away from the CHK1 kinase active site was unexpectedly found to drive the selective cellular efficacy of the compounds. Both CHK1 potency and off-target human ether-a-go-go-related gene (hERG) ion channel inhibition were dependent on lipophilicity and basicity in this series. Optimization of CHK1 cellular potency and in vivo pharmacokinetic-pharmacodynamic (PK-PD) properties gave a compound with low predicted doses and exposures in humans which mitigated the residual weak in vitro hERG inhibition.