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CAS 439083-91-7

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2-[(3,4-Dimethoxyphenyl)methyl]-7-[(1S)-1-[(1S)-1-hydroxyethyl]-4-phenylbutyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-one

Description:
The chemical substance known as 2-[(3,4-Dimethoxyphenyl)methyl]-7-[(1S)-1-[(1S)-1-hydroxyethyl]-4-phenylbutyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-one, with the CAS number 439083-91-7, is a complex organic compound characterized by its imidazotriazine core structure. This compound features multiple functional groups, including methoxy groups, a hydroxyl group, and a phenylbutyl side chain, which contribute to its potential biological activity. The presence of stereocenters indicates that the compound may exhibit chirality, which can influence its pharmacological properties. Typically, such compounds are investigated for their potential therapeutic applications, particularly in fields like medicinal chemistry and drug development. The specific arrangement of atoms and the functional groups present in this molecule suggest that it may interact with biological targets, making it a candidate for further research in pharmacology. However, detailed studies would be necessary to elucidate its mechanism of action, efficacy, and safety profile.
Formula:C27H32N4O4
InChI:InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m0/s1
InChI key:InChIKey=MYTWFJKBZGMYCS-GHTZIAJQSA-N
SMILES:[C@@H](CCCC1=CC=CC=C1)([C@H](C)O)C=2N3C(=C(C)N2)C(=O)N=C(CC4=CC(OC)=C(OC)C=C4)N3
Synonyms:
  • Imidazo[5,1-f][1,2,4]triazin-4(1H)-one, 2-[(3,4-dimethoxyphenyl)methyl]-7-[(1S)-1-[(1S)-1-hydroxyethyl]-4-phenylbutyl]-5-methyl-
  • 2-[(3,4-Dimethoxyphenyl)methyl]-7-[(1S)-1-[(1S)-1-hydroxyethyl]-4-phenylbutyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-one
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