4077-76-3Relevant articles and documents
Structure of 2,4,4,5,5-pentamethyl-2-imidazoline-1-oxyl-3-oxide
Romanenko,Ovcharenko,Vasilevskii
, p. 314 - 317 (2003)
The crystal and molecular structures of the stable nitroxide radical 2,4,4,5,5-pentamethyl-2-imidazoline-1-oxyl-3-oxide was determined. The N-O bond lengths are 1.279(2) and 1.280(2) A, respectively. The O --N+=C-N-?O fragment is nearly planar with carbon atoms of the ethyl fragment that deviated from the O-N+=C-N-?O plane by -0.204(5) and +0.176(5) A. The minimum intermolecular distance between the oxygen atoms of NO groups is 4.094 A.
FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES
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Page/Page column 125; 146, (2022/04/03)
Provided are compounds according to any of Formula (I-1) to (I-7), pharmaceutical compositions comprising at least one of said compounds, their use as a medicament, and their use in treating chronic hepatitis B virus (HBV) infection. Methods for preparing compounds according to any of Formula (I-1) to (I-7) are also provided.
Optimization of Novel 1-Methyl-1 H-Pyrazole-5-carboxamides Leads to High Potency Larval Development Inhibitors of the Barber's Pole Worm
Le, Thuy G.,Kundu, Abhijit,Ghoshal, Atanu,Nguyen, Nghi H.,Preston, Sarah,Jiao, Yaqing,Ruan, Banfeng,Xue, Lian,Huang, Fei,Keiser, Jennifer,Hofmann, Andreas,Chang, Bill C. H.,Garcia-Bustos, Jose,Jabbar, Abdul,Wells, Timothy N. C.,Palmer, Michael J.,Gasser, Robin B.,Baell, Jonathan B.
, p. 10875 - 10894 (2019/01/04)
A phenotypic screen of a diverse library of small molecules for inhibition of the development of larvae of the parasitic nematode Haemonchus contortus led to the identification of a 1-methyl-1H-pyrazole-5-carboxamide derivative with an IC50 of 0.29 μM. Medicinal chemistry optimization targeted modifications on the left-hand side (LHS), middle section, and right-hand side (RHS) of the scaffold in order to elucidate the structure-activity relationship (SAR). Strong SAR allowed for the iterative and directed assembly of a focus set of 64 analogues, from which compound 60 was identified as the most potent compound, inhibiting the development of the fourth larval (L4) stage with an IC50 of 0.01 μM. In contrast, only 18% inhibition of the mammary epithelial cell line MCF10A viability was observed, even at concentrations as high as 50 μM.