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2(3H)-Benzothiazolethione,5-nitro-(9CI) is a chemical compound with the molecular formula C7H4N2O2S. It is a nitro-substituted derivative of benzothiazolethione, a heterocyclic compound that contains both sulfur and nitrogen atoms. This versatile compound is known for its diverse biological activities, such as antimicrobial, antiviral, and anti-inflammatory properties, and is commonly used in the synthesis of pharmaceuticals and agrochemicals.

58759-63-0

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58759-63-0 Usage

Uses

Used in Pharmaceutical Industry:
2(3H)-Benzothiazolethione,5-nitro-(9CI) is used as a key intermediate in the synthesis of various pharmaceuticals for its antimicrobial, antiviral, and anti-inflammatory properties. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, 2(3H)-Benzothiazolethione,5-nitro-(9CI) is utilized as a building block in the synthesis of agrochemicals, such as pesticides and herbicides, due to its biological activities that help protect crops from diseases and pests.
Used in Organic Synthesis:
2(3H)-Benzothiazolethione,5-nitro-(9CI) serves as a versatile building block in organic synthesis, allowing chemists to create a variety of derivatives through different chemical reactions. This enables the development of new compounds with specific properties and applications.
Used in Material Science:
In the field of material science, 2(3H)-Benzothiazolethione,5-nitro-(9CI) has potential applications in the development of new materials with unique properties, such as improved stability, conductivity, or optical characteristics.
Used as a Fluorescent Probe for Metal Ions:
2(3H)-Benzothiazolethione,5-nitro-(9CI) can be employed as a fluorescent probe for detecting and analyzing metal ions. Its ability to interact with metal ions allows for the development of sensitive and selective analytical methods in various fields, including environmental monitoring and biomedical research.

Check Digit Verification of cas no

The CAS Registry Mumber 58759-63-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,7,5 and 9 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 58759-63:
(7*5)+(6*8)+(5*7)+(4*5)+(3*9)+(2*6)+(1*3)=180
180 % 10 = 0
So 58759-63-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H4N2O2S2/c10-9(11)4-1-2-6-5(3-4)8-7(12)13-6/h1-3H,(H,8,12)

58759-63-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Nitro-2-Benzothiazolethiol

1.2 Other means of identification

Product number -
Other names 5-nitro-3H-1,3-benzothiazole-2-thione

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:58759-63-0 SDS

58759-63-0Relevant academic research and scientific papers

Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof

-

Page/Page column 18; 19, (2019/03/14)

The present invention provides compounds that can enhance functional O-mannosylation of proteins including alpha-dystroglycan. Also provided are methods of preparation of the compounds defined by the formula I. Also provided are the methods of using the compounds or the pharmaceutical acceptable salts or prodrugs thereof in treating and preventing subjects suffering from the diseases including muscular dystrophies and cancers.

Synthesis and evaluation of some benzothiazole derivatives as antidiabetic agents

Kumar, Sunil,Rathore,Garg, Gopal,Khatri, Kapil,Saxena, Rahul,Sahu, Sanjeev K.

, p. 60 - 68 (2017/02/15)

Objective: The objective of the present research investigation involves synthesis and biological evaluation of antidiabetic activity of benzothiazole derivatives. Methods: A novel series of benzothiazole derivatives 7(a-l) were synthesised and synthesised compounds were characterised for different physical and chemical properties like molecular formula, molecular weight, melting point, percentage yield, Rf value, IR,1HNMR,13CNMR and mass spectroscopy. The newly synthesised benzothiazole derivatives were subsequently assayed in vivo to investigate their hypoglycemic activity by the alloxan-induced diabetic model in rats. Results: All the synthesised derivatives showed significant biological efficacy. The compound 7d at 350 mg/kg exerted maximum glucose lowering effects whereas 7c showed minimum glucose lowering effects. All the compounds were effective, and experimental results were statistically significant at p0.01 and p0.05 level. Conclusion: From the results, it is clear that compound 7d demonstrated potent anti-diabetic activity and would be of better use in drug development to combat the metabolic disorder in future.

(S)-N-(1-phenethyl) thioacetamide compound as well as medicinal composition and application thereof

-

Paragraph 0174; 0175; 0176; 0177, (2017/08/31)

The invention belongs to the field of medicinal chemicals, relates to a STAT3 inhibitor, and in particular to a (S)-N-(1-phenethyl) thioacetamide compound of a structure of formula (I) as shown in the specification, a medicinal composition of the compound as an STAT3 (Signal Transducer and Activator of Transcription 3) signal path inhibitor, and application of the compound in preparing anti-tumor medicines. Results of cell experiment show that the compound targets a Phe-Lys-Thr-Lys-Leu pentapeptide binding region in an STAT3 SH2 structure domain, then inhibits STAT3 protein monomer dimerization and silencing STAT3 signal transduction and functions, has a remarkable anti-tumor effect and good physical and chemical properties, is particularly capable of effectively preventing cell proliferative activity in breast cancer cells with high expression of STAT3 and HEL cells on which JAK2/STAT3 signal paths depend with JAK2 V671F mutation, and moreover is capable of effectively inhibiting phosphorylation of STAT3 in the breast cancer cells with high expression of STAT3 and expression of downstream target genes such as CyclinD1 and Bc1-2.

NADPH OXIDASE 4 INHIBITORS

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Page/Page column 45, (2017/01/09)

The invention relates to 2,5-disubstituted benzoxazole and benzothiazole derivatives of Formula (I) Formula (I) wherein L, X, Y, and ring (A) are as described in the description, their preparation and their use as pharmaceutically active compounds. Said compounds may be useful for the prevention or treatment of diseases or disorders associated with impaired reactive oxygen species (ROS) production, and/or for the prevention or treatment of various fibrotic diseases.

Small molecules enhance functional O-mannosylation of Alpha-dystroglycan

Lv, Fengping,Li, Zhi-Fang,Hu, Wenhao,Wu, Xiaohua

supporting information, p. 7661 - 7670 (2015/12/18)

Alpha-dystroglycan (α-DG), a highly glycosylated receptor for extracellular matrix proteins, plays a critical role in many biological processes. Hypoglycosylation of α-DG results in various types of muscular dystrophies and is also highly associated with progression of majority of cancers. Currently, there are no effective treatments for those devastating diseases. Enhancing functional O-mannosyl glycans (FOG) of α-DG on the cell surfaces is a potential approach to address this unmet challenge. Based on the hypothesis that the cells can up-regulate FOG of α-DG in response to certain chemical stimuli, we developed a cell-based high-throughput screening (HTS) platform for searching chemical enhancers of FOG of α-DG from a large chemical library with 364,168 compounds. Sequential validation of the hits from a primary screening campaign and chemical works led to identification of a cluster of compounds that positively modulate FOG of α-DG on various cell surfaces including patient-derived myoblasts. These compounds enhance FOG of α-DG by almost ten folds, which provide us powerful tools for O-mannosylation studies and potential starting points for the development of drug to treat dystroglycanopathy.

COMPOUNDS FOR MODULATING TRPV3 FUNCTION

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Page/Page column 126, (2008/06/13)

The present application relates to compounds and methods for treating pain and other conditions related to TRPV3.

A convenient synthesis of 2-mercapto and 2-chlorobenzothiazoles

Zhu, Lei,Zhang, Mingbao,Dai, Miao

, p. 727 - 730 (2007/10/03)

A convenient synthesis of 2-mercapto and 2-chlorobenzothiazoles is described. The key feature of the synthesis is an exclusive ortho-selective nucleophilic aromatic substitution reaction of ortho-haloanilines with potassium/sodium O-ethyl dithiocarbonate under mild conditions. Subsequent intra-molecular cyclization affords 2-mercaptobenzothiazoles in high yields. The 2-mercaptobenzothiazoles are readily converted to corresponding 2-chlorobenzothiazoles upon treatment with sulfuryl chloride.

PROLINE DERIVATIVES AND USE THEREOF AS DRUGS

-

, (2008/06/13)

The present invention aims at providing compounds having therapeutic effects due to a DPP-IV inhibitory action, and satisfactory as pharmaceutical products. The present inventors have found that derivatives having a substituent introduced into the γ-position of proline represented by the formula (I) wherein each symbol is as defined in the specification, have a potent DPP-IV inhibitory activity, and completed the present invention by increasing the stability.

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