CAS 36810-91-0

2-(2-Isothiocyanatoethyl)pyridine

Description:

2-(2-Isothiocyanatoethyl)pyridine, with the CAS number 36810-91-0, is a chemical compound characterized by its pyridine ring and an isothiocyanate functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its reactivity, particularly due to the presence of the isothiocyanate group, which can participate in nucleophilic reactions and is often used in organic synthesis and medicinal chemistry. The compound exhibits moderate solubility in polar organic solvents, making it useful in various chemical applications. Additionally, it may possess biological activity, as isothiocyanates are known for their potential anticancer properties and other pharmacological effects. Safety precautions should be taken when handling this compound, as isothiocyanates can be irritants and may pose health risks. Overall, 2-(2-Isothiocyanatoethyl)pyridine is a versatile compound with significant implications in both research and industrial applications.

Formula: C₈H₈N₂S

InChI: InChI=1S/C8H8N2S/c11-7-9-6-4-8-3-1-2-5-10-8/h1-3,5H,4,6H2

InChI key: InChIKey=IVLUFOQCPWIXMW-UHFFFAOYSA-N

SMILES: C(CN=C=S)C1=CC=CC=N1

Synonyms:

• Pyridine, 2-(2-isothiocyanatoethyl)-
• 2-(2-Isothiocyanatoethyl)pyridine

2-(2-Isothiocyanatoethyl)pyridine

CAS: 36810-91-0

2-(2-Isothiocyanatoethyl)pyridine (IPEC) is a powerful inhibitor of the p21 protein, which is a cyclin-dependent kinase that regulates cell cycle progression. It has been shown to inhibit the proliferation of prostate cancer cells and induce apoptotic cell death in these cells. The compound has also been shown to inhibit tumor growth in vivo models. IPEC was found to be nontoxic at concentrations up to 10 mM when tested in mice and human prostate cancer cells. IPEC induces cell death through a mechanism involving histone H3 phosphorylation and the activation of caspases 3, 8, 9, and PARP. Clinical data on the toxicity of IPEC are not available; however, animal studies show no adverse effects at high doses.

Formula: C₈H₈N₂S

Purity: Min. 95%

Molecular weight: 164.23 g/mol

Ref: 3D-LBA81091