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CAS 207736-05-8

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6(S)-[2-(4-Aminophenyl)ethyl]-3-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenylsulfanyl]-4-hydroxy-6-isopropyl-5,6-dihydro-2H-pyran-2-one

Description:
The chemical substance known as 6(S)-[2-(4-Aminophenyl)ethyl]-3-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenylsulfanyl]-4-hydroxy-6-isopropyl-5,6-dihydro-2H-pyran-2-one, with the CAS number 207736-05-8, is a complex organic compound characterized by its intricate molecular structure. It features multiple functional groups, including an amine, hydroxyl, and a sulfanyl group, which contribute to its potential biological activity. The presence of a pyranone ring indicates that it may exhibit properties typical of compounds in this class, such as reactivity in various chemical environments. The compound's stereochemistry, denoted by the (S) configuration, suggests specific spatial arrangements that could influence its interaction with biological targets. Additionally, the presence of bulky tert-butyl and isopropyl groups may affect its solubility and lipophilicity, which are important factors in pharmacokinetics. Overall, this compound's unique structure may render it of interest in medicinal chemistry and drug development, although specific biological activities would require further investigation.
Formula:C28H37NO4S
InChI:InChI=1/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,30,32H,11-12,15-16,29H2,1-6H3/t28-/m0/s1
InChI key:ZUBPKHVCBGWWGO-NDEPHWFRSA-N
SMILES:CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O
Synonyms:
  • PD-178390
  • (2S)-2-[2-(4-aminophenyl)ethyl]-5-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-6-hydroxy-2-(propan-2-yl)-2,3-dihydro-4H-pyran-4-one
  • CI-1029
Found 2 products.