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(BENZOOXAZOL-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE is a chemical compound with the molecular formula C10H10N2O2S. It is a hydrazide derivative of (benzooxazol-2-ylsulfanyl)acetic acid, characterized by its unique structure and reactivity. (BENZOOXAZOL-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE serves as a versatile precursor in organic synthesis and holds promise as a starting material for the development of pharmaceuticals and agrochemicals. Its properties and potential applications make it a valuable asset in the fields of medicinal chemistry and biotechnology.

113546-63-7

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113546-63-7 Usage

Uses

Used in Pharmaceutical Industry:
(BENZOOXAZOL-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE is used as a precursor in the synthesis of various pharmaceuticals. Its unique structure and reactivity contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
(BENZOOXAZOL-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE is also used as a starting material for the synthesis of agrochemicals. Its properties enable the creation of novel compounds with potential applications in agriculture, such as pesticides or herbicides.
Used in Medicinal Chemistry:
(BENZOOXAZOL-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE is utilized as a valuable component in the field of medicinal chemistry. Its unique properties and reactivity facilitate the development of new chemical compounds and materials with potential applications in drug discovery and design.
Used in Biotechnology:
(BENZOOXAZOL-2-YLSULFANYL)-ACETIC ACID HYDRAZIDE has potential applications in the field of biotechnology. Its properties and reactivity make it a promising candidate for the development of new biotechnological products and processes.

Check Digit Verification of cas no

The CAS Registry Mumber 113546-63-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,3,5,4 and 6 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 113546-63:
(8*1)+(7*1)+(6*3)+(5*5)+(4*4)+(3*6)+(2*6)+(1*3)=107
107 % 10 = 7
So 113546-63-7 is a valid CAS Registry Number.
InChI:InChI=1/C9H9N3O2S/c10-12-8(13)5-15-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5,10H2,(H,12,13)

113546-63-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(1,3-Benzoxazol-2-ylsulfanyl)acetohydrazide

1.2 Other means of identification

Product number -
Other names hydrazide of (2-benzooxazolylthio)acetic acid

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:113546-63-7 SDS

113546-63-7Downstream Products

113546-63-7Relevant academic research and scientific papers

Immobilization and release studies of triazole derivatives from grafted copolymer based on gellan-carrying betaine units

Baranov, Nicolae,Cheptea, Corina,Desbrieres, Jacques,Lionte, Catalina,Macsim, Ana Maria,Popa, Marcel,Racovita, Stefania,Sunel, Valeriu,Vasiliu, Silvia

, (2021)

New polymer-bioactive compound systems were obtained by immobilization of triazole derivatives onto grafted copolymers and grafted copolymers carrying betaine units based on gellan and N-vinylimidazole. For preparation of bioactive compound, two new types of heterocyclic thio-derivatives with different substituents were combined in a single molecule to increase the selectivity of the biological action. The 5-aryl-amino-1,3,4 thiadiazole and 5-mercapto-1,2,4-triazole derivatives, each containing 2-mercapto-benzoxazole nucleus, were prepared by an intramolecular cyclization of thiosemicarbazides-1,4 disubstituted in acidic and basic medium. The structures of the new bioactive compounds were confirmed by elemental and spectral analysis (FT-IR and1H-NMR). The antimicrobial activity of 1,3,4 thiadiazoles and 1,2,4 triazoles was tested on gram-positive and gram-negative bacteria. The triazole compound was chosen to be immobilized onto polymeric particles by adsorption. The Langmuir, Freundlich, and Dubinin–Radushkevich adsorption isotherm were used to describe the adsorption equilibrium. Also, the pseudo-first and pseudo-second models were used to elucidate the adsorption mechanism of triazole onto grafted copolymer based on N-vinylimidazole and gellan (PG copolymer) and grafted copolymers carrying betaine units (PGB1 copolymer). In vitro release studies have shown that the release mechanism of triazole from PG and PGB1 copolymers is characteristic of an anomalous transport mechanism.

Green synthesis of therapeutically active 1,3,4-oxadiazoles as antioxidants, selective COX-2 inhibitors and their in silico studies

Nesaragi, Aravind R.,Kamble, Ravindra R.,Dixit, Shruti,Kodasi, Barnabas,Hoolageri, Swati R.,Bayannavar, Praveen K.,Dasappa, Jagadeesh Prasad,Vootla, Shyamkumar,Joshi, Shrinivas D.,Kumbar, Vijay M.

, (2021/06/09)

A modest, competent and green synthetic procedure for novel coumarinyl-1,3,4-oxadiazolyl-2-mercaptobenzoxazoles 8i-t has been reported. Analysis of the docked (PDB ID: 5IKR; A-Chain) poses of the compounds illustrated that they adopt identical conformations to the extremely selective COX-2 inhibitor. The biological outcomes as well as computational study suggested that the compounds originated to have elevated resemblance towards COX-2 enzyme than COX-1. The compounds 8i, 8l, 8q, 8r, 8s and 8t emerged as most potent and selective COX-2 inhibitors in contrast with Mefenamic acid. The selectivity index of 8l, 8n and 8r was respectively found to be 33.95, 20.25 and 24.98 which manifested their high selectivity against COX-2. Interestingly, the compounds which were active as COX-2 inhibitors were also active as antioxidant agents.

Binding characterization, synthesis and biological evaluation of RXRα antagonists targeting the coactivator binding site

Xu, Dingyu,Guo, Shangjie,Chen, Ziwen,Bao, Yuzhou,Huang, Fengyu,Xu, Dan,Zhang, Xindao,Zeng, Zhiping,Zhou, Hu,Zhang, Xiaokun,Su, Ying

, p. 3846 - 3849 (2016/08/01)

Previously we identified the first retinoid X receptor-alpha (RXRα) modulators that regulate the RXRα biological function via binding to the coregulator-binding site. Here we report the characterization of the interactions between the hit molecule and RXRα through computational modeling, mutagenesis, SAR and biological evaluation. In addition, we reported studies of additional new compounds and identified a molecule that mediated the NF-κB pathway by inhibiting the TNFα-induced IκBα degradation and p65 nuclear translocation.

Polymer conjugates with potential biological activity based on new derivatives of 2-mercaptobenzoxazole-synthesis and characterization

Aparaschivei, Rcadita,Sunel, Valeriu,Holban, Mihaela,Popa, Marcel,Desbrieres, Jacques

, p. 1808 - 1815 (2013/09/23)

New potentially biologically active compounds derived from 2-mercapto-benzoxazole were synthesized and coupled on polymeric support of poly (maleic anhydride-alt-vinyl acetate) for the preparation of polymer-drug conjugates with controlled drug release. All compounds were characterized by elemental and spectroscopy (FT-IR, 1H-NMR) analysis. The toxicological tests recommend the products for further laboratory screening. [Figure not available: see fulltext.]

New pyrazole derivatives containing 1,2,4-triazoles and benzoxazoles as potent antimicrobial and analgesic agents

Vijesh,Isloor, Arun M.,Shetty, Prashanth,Sundershan,Fun, Hoong Kun

, p. 410 - 415 (2013/05/09)

Azole class of compounds are well known for their excellent therapeutic properties. Present paper describes about the synthesis of three series of new 1,2,4-triazole and benzoxazole derivatives containing substituted pyrazole moiety (11a-d, 12a-d and 13a-d). The newly synthesized compounds were characterized by spectral studies and also by C, H, N analyses. All the synthesized compounds were screened for their analgesic activity by the tail flick method. The antimicrobial activity of the new derivatives was also performed by Minimum Inhibitory Concentration (MIC) by the serial dilution method. The results revealed that the compound 11c having 2,5-dichlorothiophene substituent on pyrazole moiety and a triazole ring showed significant analgesic and antimicrobial activity.

Antimicrobial and analgesic evaluation of newly synthesized benzoxazole incorporated azitidinones

Hanumanthappa,Vagdevi,Vaidya,Srikrishna,Raghavendra

, p. 121 - 124 (2013/09/23)

The cyclocondensation of the Schiff s bases 5(a-j) with chloroacetyl chloride in presence of triethyl amine resulted in the formation of 2-(1,3-benzoxazole-2-yl thio)-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl) acetamide analogs 6(a-j). The structures of the newly synthesized compounds have been established by IR, 1H NMR and mass spectral studies. All the synthesized compounds have been screened for antimicrobial and analgesic activities.

Synthesis and biological significance of 2-mercaptobenzoxazole derivatives

Srivastava, Santosh Kumar,Jain, Ashish,Srivastava, Savitri Devi

, p. 1118 - 1123 (2007/10/03)

Several 2-aryl-3-[(2-mercaptobenzoxazolo)acetamidyl]-4-oxothiazolidines 4, and 2-aryl-3-[(2-mercaptobenzoxazolo)acetamidyl]-5-arylidene-4-oxothiazolidines 5 have been synthesized by the appropriate methods and evaluated for their antibacterial activity ag

ISOMERISM OF HYDRAZONES OF (2-BENZOTHIAZOLYLTHIO)- AND (2-BENZOXAZOLYLTHIO)ACETIC ACIDS

Rutavicius, A.,Valiulene, S.,Kuodis, Z.

, p. 629 - 633 (2007/10/03)

PMR spectroscopy was used to shown that the hydrazones of (2-benzothiazolyl) and (2-benzoxazolyl)acetic acids exist in solution as equilibrium mixtures of stereoisomeric forms due to conformational and geometric isomerism.

Synthesis and studies of (2-benzothiazolyl/benzimidazolyl/benzoxazolylthio)acetic acid (3-pyridyl)methylenehydrazides as possible anthelmintics

Husain, M. Imtiaz,Kumar, Vinay

, p. 905 - 907 (2007/10/02)

Eighteen new (2-benzothiazolyl/benzimidazolyl/benzoxazolylthio)acetic acid (3-pyridil)methylene hydrazides (Va-r) have been synthesized and tested for their anthelmintic activity against H. nana infection in mice at a dose of 250 mg/kg * 3.In the primary screening compounds Va, Ve and Vk exhibit a high order of activity whereas Vc, Vd and Vm show moderate activity.

Synthesis and studies of 3--1,2,4-triazolothiadiazol-6-yl substituted phenyl as possible anthelmintics

Husain, M Imtiaz,Kumar, Vinay

, p. 673 - 676 (2007/10/02)

A series of 3--1,2,4-triazolothiadiazol-6-yl substituted phenyl (6a-x) has been synthesised and screened for anthelmintic activity against H.nana in mice at a dose of 250 mg/kg * 3.In the primary screening compounds 6c, 6d and 6k exhibited a high order of activity whereas the compounds 6b, 6p and 6r showed moderate activity.

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