17427-37-1

Basic information

• Product Name: 1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE
• Synonyms: 1-(2-isothiocyanatoethyl)-4-methoxybenzene(SALTDATA: FREE);1-(2-Isothiocyanatoethyl)-4-methoxybenzene AldrichCPR
• CAS NO: 17427-37-1
• Molecular Formula: C₁₀H₁₁NOS
• Molecular Weight: 193.27
• Mol File: 17427-37-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 323 °C at 760 mmHg
• Flash Point: 149.2 °C
• Appearance: /
• Density: 1.05 g/cm³
• Vapor Pressure: 0.000508mmHg at 25°C
• Refractive Index: 1.539
• CAS DataBase Reference: 1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE(17427-37-1)
• EPA Substance Registry System: 1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE(17427-37-1)

Safety Data

• Statements: 43
• Safety Statements: 36/37
• Hazardous Substances Data: 17427-37-1(Hazardous Substances Data)

Usage

General Description

1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE, also known as Isothiocyanatoethylmethoxybenzene, is a chemical compound with the molecular formula C10H11NOS. 1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE is an isothiocyanate, a functional group consisting of a sulfur atom, a carbon atom, and a nitrogen atom. It is commonly used in organic synthesis and pharmaceutical research due to its potential biological activities, including anticancer, antimicrobial, and antioxidant properties. Additionally, Isothiocyanatoethylmethoxybenzene has been studied for its potential role in insect repellant and pest control formulations. 1-(2-ISOTHIOCYANATO-ETHYL)-4-METHOXY-BENZENE may have a wide range of applications in various industries, including pharmaceuticals, agriculture, and biotechnology.

InChI:InChI=1/C10H11NOS/c1-12-10-4-2-9(3-5-10)6-7-11-8-13/h2-5H,6-7H2,1H3

Upstream product

• 55-81-2 4-Methoxyphenethylamine 
• 463-71-8 thiophosgene 
• 6160-65-2 1,1'-Thiocarbonyldiimidazole 

Downstream Products

• 143543-81-1 (4,5-Dihydro-thiazol-2-yl)-[2-(4-methoxy-phenyl)-ethyl]-amine 

Relevant articles and documents

Synthesis and SAR of novel capsazepine analogs with significant anti-cancer effects in multiple cancer types

We previously demonstrated that capsazepine (CPZ), a synthetic transient receptor potential Vanilloid subtype 1 (TRPV1) antagonist, has significant anti-cancer effects in vivo. The purpose of this study was to develop more potent analogs based upon CPZ pharmacophore and structure–activity relationships (SAR) across analogs. We generated 30 novel compounds and screened for their anti-proliferative effects in cultured HeLa cervical cancer cells. Cell viability assays identified multiple compounds with IC50s 50 50s of 1–2.5 μM in HSC-3and PC-3cells. Thus, we propose that these novel CPZ analogs may serve as efficacious therapeutic agents against multiple tumor types that warrant further development for clinical application.

Bronchorelaxing compounds

A compound of the general formula (I) including its pharmaceutically acceptable acid addition salts wherein A is CHR9, wherein R9 is H, C1-C6 alkyl; n is 1-3; B is CHR10, wherein R10 is H, C1-C6 alkyl; m is 1 or 2; D is O or S or optionally NR16, wherein R16 is H, C1-C6 alkyl or C2-C6 acyl; E is CR11R12 or NR13, wherein R11 and R12 are, independent of each other, H or C1-C6 alkyl, R13 is H or C1-C6 alkyl; F is C1-C18 alkyl which may be mono- or di-unsaturated and/or substituted, is useful in treating and preventing pulmonary disease characterized by bronchoconstriction. Also disclosed are pharmaceutical compositions comprising the compound and methods for their manufacture.