Yamamoto, Takeshi published the artcileSynthesis and quantitative structure-activity relationships of N-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonyl)guanidines as Na/H exchange inhibitors, Product Details of C11H11NO4, the publication is Chemical & Pharmaceutical Bulletin (1998), 46(11), 1716-1723, database is CAplus and MEDLINE.
N-(3-Oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonyl)guanidines I [R = H, Cl, OMe; R1 = H, Me; R2 = H, Me, Et, Ph; R3 = H, Me, Et, CHMe2, Pr, Bu, CH2CH2OEt, hexyl] were prepared and tested for Na/H exchange inhibitory activities in order to clarify the structure-activity relationship (SAR). QSAR anal. of I indicated that the length of the 4-substituent was parabolically related to activity and that the calculated optimum 4-substituents were Pr, Et and iso-Pr groups. This SAR was similar to the SAR of the 2- and 4-substituents of 7-carbonylguanidine derivatives, although the position relative to the essential guanidinocarbonyl group was different. Larger 2-substituents, such as a Ph group were unfavorable. The most potent derivative in this series was I [R = H, R1, R2 = Me, R3 = CHMe2] with an IC50 value of 0.12 μM. The methanesulfonate salt (KB-R9032) of this compound had excellent water-solubility and showed anti-arrhythmic activity against a rat acute myocardial infarction model. KB-R9032 was selected for further investigation as a therapy for ischemia-reperfusion induced injury.
Chemical & Pharmaceutical Bulletin published new progress about 179950-77-7. 179950-77-7 belongs to esters-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Ester,Amide, name is Methyl 2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carboxylate, and the molecular formula is C7H10BNO3, Product Details of C11H11NO4.
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