Molecule ID: 1271002

IUPAC Name: (5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Description: The molecule is a member of the class of thiazolidinones that is 2-sulfanylidene-1,3-thiazolidin-4-one which is substituted at position 5 by a (4-ethylphenyl)methylidene group. It is a cell permeable inhibitor of c-Myc-Max dimerization and exhibits antitumour effects in vivo. It downregulates c-Myc expression and upregulates CDK inhibitors, p21 and p27 resulting in the inhibition of proliferation, induction of apoptosis and cell cycle arrest in G0/G1 phase. It has a role as an apoptosis inducer and an antineoplastic agent. It is a thiazolidinone and an olefinic compound.

SMILES: CCc1ccc(/C=C2/SC(=S)N=C2O)cc1

SELFIES: [C][C][C][=C][C][=C][Branch1][=N][/C][=C][/S][C][=Branch1][C][=S][N][=C][Ring1][=Branch1][O][C][=C][Ring1][=C]

InChI: InChI=1S/C12H11NOS2/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7+

Molecular Properties:
- Polar Surface Area: 86.5 Ų
- LogP: 3.6