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CAS 854898-48-9

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(βR,δS,6R)-8-Fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]benzo[h]quinazoline-6-pentanoic acid

Description:
The chemical substance known as (βR,δS,6R)-8-Fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]benzo[h]quinazoline-6-pentanoic acid, with the CAS number 854898-48-9, is a complex organic compound characterized by its unique structural features. It contains a quinazoline core, which is a bicyclic structure known for its presence in various biologically active molecules. The presence of a fluoro group and multiple hydroxy groups suggests potential for hydrogen bonding and reactivity, which may influence its biological activity. The methylsulfonyl group indicates a sulfonamide functionality, often associated with enhanced solubility and bioavailability. Additionally, the presence of a pentanoic acid moiety may contribute to its lipophilicity and overall pharmacokinetic properties. This compound is likely to be of interest in medicinal chemistry, particularly in the development of therapeutics targeting specific biological pathways. Its stereochemistry, denoted by the βR and δS configurations, may also play a crucial role in its interaction with biological targets, affecting its efficacy and safety profile.
Formula:C22H28FN3O6S
InChI:InChI=1S/C22H28FN3O6S/c1-11(2)20-17-10-16(18(28)8-13(27)9-19(29)30)15-7-12(23)5-6-14(15)21(17)25-22(24-20)26(3)33(4,31)32/h5-7,11,13,16,18,27-28H,8-10H2,1-4H3,(H,29,30)/t13-,16-,18+/m1/s1
InChI key:InChIKey=FHIVIRAXRANEIW-QBIMZIAESA-N
SMILES:C(C)(C)C1=C2C(C=3C([C@]([C@H](C[C@H](CC(O)=O)O)O)(C2)[H])=CC(F)=CC3)=NC(N(S(C)(=O)=O)C)=N1
Synonyms:
  • (βR,δS,6R)-8-Fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]benzo[h]quinazoline-6-pentanoic acid
  • Benzo[h]quinazoline-6-pentanoic acid, 8-fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, (βR,δS,6R)-
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