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CAS 615556-96-2

:

1,1-Dimethylethyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate

Description:
1,1-Dimethylethyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate, with CAS number 615556-96-2, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as a pyrimidine ring, a heptenoate moiety, and a sulfonamide. This compound exhibits properties typical of pharmaceuticals, including potential bioactivity due to its specific arrangement of substituents that may influence its interaction with biological targets. The presence of a fluorophenyl group suggests enhanced lipophilicity, which can affect its pharmacokinetics and bioavailability. Additionally, the compound's stereochemistry, indicated by the (3R,6E) configuration, plays a crucial role in its biological activity and efficacy. Overall, this substance is likely to be of interest in medicinal chemistry, particularly in the development of therapeutic agents, due to its unique structural features and potential biological applications.
Formula:C26H34FN3O6S
InChI:InChI=1S/C26H34FN3O6S/c1-16(2)23-21(13-12-19(31)14-20(32)15-22(33)36-26(3,4)5)24(17-8-10-18(27)11-9-17)29-25(28-23)30(6)37(7,34)35/h8-13,16,20,32H,14-15H2,1-7H3/b13-12+/t20-/m1/s1
InChI key:InChIKey=FFFKSDDUCCGFGT-DRUFCSCSSA-N
SMILES:C(=C/C(C[C@H](CC(OC(C)(C)C)=O)O)=O)\C=1C(=NC(N(S(C)(=O)=O)C)=NC1C(C)C)C2=CC=C(F)C=C2
Synonyms:
  • 1,1-Dimethylethyl (3R,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoate
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-, 1,1-dimethylethyl ester, (3R,6E)-
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