CAS 956189-91-6

2-[(5Z)-5-[[3-[4-[(4-Chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid

Description:

The chemical substance known as 2-[(5Z)-5-[[3-[4-[(4-Chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, with the CAS number 956189-91-6, is a complex organic compound characterized by its multi-functional structure. It features a thiazolidine ring, which is notable for its role in various biological activities, and incorporates a sulfonic acid group that enhances its solubility in water. The presence of a chlorophenyl group and a pyrazole moiety suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The compound's structure indicates it may exhibit properties such as anti-inflammatory or anti-cancer activities, although specific biological effects would require empirical investigation. Additionally, the presence of multiple aromatic rings contributes to its stability and potential for π-π stacking interactions. Overall, this compound represents a class of molecules that may have significant pharmacological implications, warranting further research into its applications and mechanisms of action.

Formula: C₂₈H₂₂ClN₃O₅S₃

InChI: InChI=1S/C28H22ClN3O5S3/c29-22-10-6-19(7-11-22)18-37-24-12-8-20(9-13-24)26-21(17-32(30-26)23-4-2-1-3-5-23)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-

InChI key: UEMVHDDFBLKUGI-XYGWBWBKSA-N

SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)/C=C\5/C(=O)N(C(=S)S5)CCS(=O)(=O)O

Synonyms:

• 3-Thiazolidineethanesulfonic acid, 5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-1H-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-, (5Z)-
• 2-[(5Z)-5-[[3-[4-[(4-Chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
• 2-{(5Z)-5-[(3-{4-[(4-CHLOROBENZYL)OXY]PHENYL}-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL}ETHANESULFONIC ACID

VHR-IN-1

CAS: 956189-91-6

VHR-IN-1 (Compound SA1) is an effective and selective VHR phosphatase inhibitor with an IC50 of 18 nM. It hinders the proliferation of cervical cancer cells, demonstrating antitumor activity.

Formula: C₂₈H₂₂ClN₃O₅S₃

Color and Shape: Solid

Molecular weight: 612.139

Ref: TM-T205319