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1,2-Benzenedicarbonitrile, 4,5-bis[[2-(dimethylamino)ethyl]thio]- is a phthalonitrile derivative functionalized with dimethylaminoethylthio groups at the 4 and 5 positions. It serves as a key precursor for synthesizing metal-free or metal-containing phthalocyanines, which can be further quaternized to enhance water solubility. 1,2-Benzenedicarbonitrile, 4,5-bis[[2-(dimethylamino)ethyl]thio]- exhibits utility in photodynamic therapy, as its derived phthalocyanines demonstrate potent photocytotoxicity against cancer cells, efficient singlet oxygen generation, and selective subcellular localization, making it valuable for biomedical applications.

373392-72-4

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373392-72-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 373392-72-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,7,3,3,9 and 2 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 373392-72:
(8*3)+(7*7)+(6*3)+(5*3)+(4*9)+(3*2)+(2*7)+(1*2)=164
164 % 10 = 4
So 373392-72-4 is a valid CAS Registry Number.

373392-72-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4,5-bis[2-(dimethylamino)ethylsulfanyl]benzene-1,2-dicarbonitrile

1.2 Other means of identification

Product number -
Other names 4,5-bis[2-(dimethylamino)ethylthio]phthalonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:373392-72-4 SDS

373392-72-4Downstream Products

373392-72-4Relevant academic research and scientific papers

Synthesis of new metal-free and metal-containing phthalocyanines with tertiary or quaternary aminoethyl substituents

Guersoy,Cihan,Kocak,Bekaroglu

, p. 813 - 819 (2001)

A novel phthalodinitrile derivative carrying dimethylaminoethylsulfanyl groups at positions 4 and 5 was synthesized from 2-dimethylaminoethanethiol hydrochloride and 1,2-dichloro-4,5-dicyanobenzene. Its cyclotetramerization in the presence of 2-dimethylamino-ethanol or metal salts (CoCl2, Zn(OAc)2) gave metal-free or metal-containing phthalocyanines (M = Co or Zn). These phthalocyanines were converted into water soluble quaternized products by reaction with methyl iodide. The new compounds were characterized by elemental analysis, IR, NMR, and electronic spectra.

Preparation and in vitro photodynamic activity of amphiphilic zinc(II) phthalocyanines substituted with 2-(dimethylamino)ethylthio moieties and their N-alkylated derivatives

Duan, Wubiao,Lo, Pui-Chi,Duan, Lei,Fong, Wing-Ping,Ng, Dennis K.P.

, p. 2672 - 2677 (2010)

Treatment of 4,5-dichlorophthalonitrile with 2-(dimethylamino)ethanethiol hydrochloride and K2CO3 afforded 4,5-bis[2-(dimethylamino)ethylthio]phthalonitrile or a heterocycle-fused phthalonitrile depending on the reaction temperature. The latter has been spectroscopically and structurally characterized. Both compounds underwent mixed cyclization with 3 equiv of unsubstituted phthalonitrile in the presence of Zn(OAc)2·2H2O and 1,8-diazabicyclo[5.4.0]undec-7-ene to give the corresponding 2,3-disubstituted zinc(II) phthalocyanines. N-methylation or pentylation of the bis[2-(dimethylamino)ethylthio] substituted analogue resulted in the formation of the respective dicationic phthalocyanines. For comparison, the octa-substituted analogues were also prepared by base and zinc-promoted self-cyclization of 4,5-bis[2-(dimethylamino)ethylthio]phthalonitrile followed by N-methylation. The spectroscopic and basic photophysical properties of these di- and octa-substituted phthalocyanines were examined in N,N-dimethylformamide. All of them remained essentially non-aggregated, showed moderate fluorescence emission, and could generate singlet oxygen, except the heterocycle-fused analogue, of which the singlet excited state was reductively quenched by the amino substituent. The photocytotoxicity of these compounds was also evaluated against HepG2 human hepatocarcinoma cells and HT29 and T84 human colon adenocarcinoma cells. The disubstituted amphiphilic phthalocyanines are particularly potent with IC50 values down to 0.08 μM. Fluorescence microscopic studies revealed that the non-ionic derivative has selective affinity to the mitochondria of HT29 cells, while its di-N-methylated analogue shows preferential localization in the cell membrane.

Synthesis and evaluation of cationic phthalocyanine derivatives as potential inhibitors of telomerase

Zhang, Lixia,Huang, Jing,Ren, Lige,Bai, Minghui,Wu, Lin,Zhai, Baoping,Zhou, Xiang

, p. 303 - 312 (2008/04/05)

A series of water-soluble cationic phthalocyanine derivatives (1-10) were designed and synthesized to develop novel and potent telomerase inhibitors. These phthalocyanine derivatives as inhibitors of telomerase were investigated via modified telomerase re

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