149486-04-4

Basic information

• Product Name: 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
• Synonyms: thiourea, N-[2-(3-fluorophenyl)ethyl]-N'-2-thiazolyl-
• CAS NO: 149486-04-4
• Molecular Formula: C₁₂H₁₂FN₃S₂
• Molecular Weight: 281.3722
• Mol File: 149486-04-4.mol

Chemical Properties

• Boiling Point: 405.1°C at 760 mmHg
• Flash Point: 198.8°C
• Density: 1.383g/cm³
• Vapor Pressure: 8.98E-07mmHg at 25°C
• Refractive Index: 1.681
• CAS DataBase Reference: 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea(149486-04-4)
• EPA Substance Registry System: 1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea(149486-04-4)

Safety Data

• Hazardous Substances Data: 149486-04-4(Hazardous Substances Data)

Usage

Type of compound

Organic compound

Thiazole ring

A five-membered ring with two nitrogen atoms and one sulfur atom

Thiourea functional group

A group containing a carbonyl (C=O) and a thiocarbonyl (C=S) bonded to the same nitrogen atom

Fluorophenyl group

A phenyl group (a six-membered aromatic ring with six carbon atoms) with one hydrogen atom replaced by a fluorine atom

Ethyl group

A two-carbon alkyl group (CH2CH3)

Potential applications

Pharmacological properties, possible use in the treatment of various diseases

Biological activity

Suggested due to the presence of thiazole, thiourea, fluorophenyl, and ethyl groups

Further research

Required to determine specific uses and effects of the compound

Upstream product

• 404-70-6 2-(3-Fluorophenyl)ethylamine 
• 149485-85-8 N-(thiazol-2-yl)-1H-imidazole-1-carbothioamide 

Relevant articles and documents

Method for inhibition of HIV related viruses

Treatment of AIDS, inhibition of the replication of HIV and related viruses thereof, and formulations using thiourea derivative compounds or salts thereof is disclosed. Also disclosed are novel thiourea derivative compounds.

Phenethylthiazolethiourea (PETT) compounds, a new class of HIV-1 reverse transcriptase inhibitors. 1. Synthesis and basic structure-activity relationship studies of PETT analogs

A novel series of potent specific HIV-1 inhibitory compounds is described. The lead compound in the series, N-(2-phenethyl)-N'-(2-thiazolyl)thiourea (1), inhibits HIV-1 RT using rCdG as the template with an IC50 of 0.9 μM. In MT-4 cells, compound 1 inhibits HIV-1 with an ED50 of 1.3 μM. The 50% cytotoxic dose in cell culture is >380 μM. The chemical structure-activity relationship (SAR) was developed by notionally dividing the lead compound in four quadrants. The SAR strategy had two phases. The first phase involved optimization of antiviral activity through independent variation of quadrants 1-4. The second phase involved the preparation of hybrid structures combining the best of these substituents. Further SAR studies and pharmacokinetic considerations led to the identification of N-(2-pyridyl)-N'-(5-bromo-2- pyridyl)-thiourea (62; LY300046 · HCl) as a candidate for clinical evaluation. LY300046 · HCl inhibits HIV-1 RT with an IC50 of 15 nM and in cell culture has an ED50 of 20 nM.