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6097-22-9

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6097-22-9 Usage

Description

3-Nitrophenacyl thiocyanate, with the chemical formula C10H6N2O4S, is a yellow solid that is insoluble in water but soluble in organic solvents. It is a versatile chemical compound known for its reactivity with amines and amino acids, making it a valuable reagent in analytical chemistry. Its ability to form stable complexes with metal ions also contributes to its use in the production of dyes and pigments. Furthermore, it has been explored for its potential in photopharmacology, where it can be utilized to control the activity of drugs through light exposure.

Uses

Used in Analytical Chemistry:
3-Nitrophenacyl thiocyanate is used as a reagent for the detection of various ions due to its reactivity with amines and amino acids. This property makes it a valuable tool in the identification and quantification of these compounds in various samples.
Used in Dye and Pigment Production:
In the dye and pigment industry, 3-Nitrophenacyl thiocyanate is used as a precursor to a range of organic compounds. Its ability to form stable complexes with metal ions allows for the creation of dyes and pigments with enhanced properties, such as improved color stability and resistance to fading.
Used in Photopharmacology Research:
3-Nitrophenacyl thiocyanate has been researched for its potential application in the field of photopharmacology. In this field, light is used to control the activity of drugs, and 3-Nitrophenacyl thiocyanate's unique properties make it a promising candidate for the development of light-activated pharmaceuticals. This could lead to more targeted and controlled drug delivery systems, improving treatment efficacy and reducing side effects.

Check Digit Verification of cas no

The CAS Registry Mumber 6097-22-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,0,9 and 7 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 6097-22:
(6*6)+(5*0)+(4*9)+(3*7)+(2*2)+(1*2)=99
99 % 10 = 9
So 6097-22-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H6N2O3S/c10-6-15-5-9(12)7-2-1-3-8(4-7)11(13)14/h1-4H,5H2

6097-22-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3-Nitrophenyl)-2-oxoethyl thiocyanate

1.2 Other means of identification

Product number -
Other names [2-(3-nitrophenyl)-2-oxoethyl] thiocyanate

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:6097-22-9 SDS

6097-22-9Relevant articles and documents

Ammonium [11C]thiocyanate: revised preparation and reactivity studies of a versatile nucleophile for carbon-11 radiolabelling

Haywood, Tom,Cesarec, Sara,Kealey, Steven,Plisson, Christophe,Miller, Philip W.

supporting information, p. 1311 - 1314 (2018/08/28)

Herein we report the preparation of ammonium [11C]thiocyanate via the reaction of [11C]CS2 with ammonia. The [11C]SCN- ion is demonstrated as a potent nucleophile that can be used to readily generate a range of 11C-labelled thiocyanate molecules in high conversions. Furthermore, novel 11C-labelled thiazolone molecules can be easily prepared from the intermediate α-thiocyanatophenones via an acid mediated cyclisation reaction.

Fragment-based drug discovery of 2-thiazolidinones as inhibitors of the histone reader BRD4 bromodomain

Zhao, Lele,Cao, Danyan,Chen, Tiantian,Wang, Yingqing,Miao, Zehong,Xu, Yechun,Chen, Wuyan,Wang, Xin,Li, Yanlian,Du, Zhiyan,Xiong, Bing,Li, Jian,Xu, Chunyan,Zhang, Naixia,He, Jianhua,Shen, Jingkang

, p. 3833 - 3851 (2013/07/11)

Recognizing acetyllysine of histone is a vital process of epigenetic regulation that is mediated by a protein module called bromodomain. To contribute novel scaffolds for developing into bromodomain inhibitors, we utilize a fragment-based drug discovery approach. By successively applying docking and X-ray crystallography, we were able to identify 9 fragment hits from diffracting more than 60 crystals. In the present work, we described four of them and carried out the integrated lead optimization for fragment 8, which bears a 2-thiazolidinone core. After several rounds of structure guided modifications, we assessed the druggability of 2-thiazolidinone by modulating in vitro pharmacokinetic studies and cellular activity assay. The results showed that two potent compounds of 2-thiazolidinones have good metabolic stability. Also, the cellular assay confirmed the activities of 2-thiazolidinones. Together, we hope the identified 2-thiazolidinone chemotype and other fragment hits described herein can stimulate researchers to develop more diversified bromodomain inhibitors.

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