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5-Chloro-4-nitro-2,1,3-benzoselenadiazole, with the chemical formula C4HClN3O2Se, is an organic synthetic compound characterized by a benzoselenadiazole core structure. It is a yellow solid and is known for its unique chemical properties, making it a valuable intermediate in various chemical reactions and synthesis processes.

20718-46-1

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20718-46-1 Usage

Uses

Used in Organic Synthesis:
5-Chloro-4-nitro-2,1,3-benzoselenadiazole is used as a synthetic intermediate for the preparation of various organic compounds. Its unique structure and reactivity allow it to be a versatile building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 5-chloro-4-nitro-2,1,3-benzoselenadiazole is used as a key intermediate in the synthesis of drug candidates. Its presence in the molecular structure can impart specific biological activities, such as antimicrobial, antiviral, or anticancer properties, depending on the final compound's design.
Used in Agrochemical Industry:
5-Chloro-4-nitro-2,1,3-benzoselenadiazole is also utilized in the agrochemical industry for the development of new pesticides and herbicides. Its incorporation into these compounds can enhance their effectiveness in controlling pests and weeds, leading to improved crop yields and protection.
Used in Specialty Chemicals:
In the specialty chemicals sector, 5-chloro-4-nitro-2,1,3-benzoselenadiazole is employed in the synthesis of various high-value compounds, such as dyes, pigments, and functional materials. Its unique properties can contribute to the development of innovative products with improved performance and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 20718-46-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,7,1 and 8 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 20718-46:
(7*2)+(6*0)+(5*7)+(4*1)+(3*8)+(2*4)+(1*6)=91
91 % 10 = 1
So 20718-46-1 is a valid CAS Registry Number.
InChI:InChI=1/C6H2ClN3O2Se/c7-3-1-2-4-5(9-13-8-4)6(3)10(11)12/h1-2H

20718-46-1Relevant academic research and scientific papers

Synthesis and antimicrobial studies of selenadiazolo benzimidazoles

Kuarm, B. Suresh,Madhav, J. Venu,Rajitha

, p. 1337 - 1341 (2013)

An efficient and eco-friendly method has been developed for the synthesis of selenadiazolo benzimidazoles by the condensation of N-benzylbenzo[c][1,2,5] selenadiazole-4,5-diamine with various aromatic aldehydes catalyzed by xanthan sulfuric acid. All the synthesized compounds 5a, 5b, 5c, 5d, 5e, 5f, 5g, 5h, 5i, 5j were evaluated for in vitro antibacterial activity against Gram-positive bacterial strains (Bacillus subtilis, Staphylococcus aureus, and Streptococcus pyogenes), and Gram-negative bacterial strains (Escherichia coli, Klebsiella pneumonia, and Salmonella typhimurium) and antifungal against Aspergillus niger, Candida albicans, and Aspergillus flavus (Fungi). Compound 5i emerged as the most interesting compound in this series exhibiting excellent antimicrobial activity.

Design and Synthesis of 11H-Xantheno[2,1-c][1,2,5]Selenadiazol-11-One Derivatives as Potent Antimicrobial and Antitubercular Agents

Bowroju, Suresh Kuarm,Marumamula, Hanumaiah,Bavanthula, Rajitha

, p. 593 - 600 (2021/05/03)

Abstract: A series of 11H-xantheno[2,1-c][1,2,5]selenadiazol-11-one derivatives (Va–m) that incorporate a variety of substituents have been synthesized under both conventional heating and microwave irradiation procedures. All these analogs were evaluated for their antimicrobial activity against the Gram-positive bacteria Bacillus subtilis (BS), Staphylococcus aureus (SA), and Staphylococcus epidermidis (SE), against the Gram-negative bacteria Escherichia coli (EC), Pseudomonas aeruginosa (PA), and Klebsiella pneumonia (KP), and against the fungal species Candida albicans (CA), Candida rugosa (CR), Rhizopus oryzae (RO), and Aspergillus niger (AN) and antitubercular activity against MTB H37Rv. Analog, 7,9-dimethoxy-11H-xantheno[2,1-c][1,2,5]selenadiazol-11-one (Vc) was identified as a potent antibacterial agent (MIC[BS] = 2.5 μg/mL, MIC[SA] = 10 μg/mL, MIC[SE] = 2.5 μg/mL, MIC[EC] = 5 μg/mL, MIC[PA] = 10 μg/mL, MIC[KP] = 2.5?μg/mL), and a potent antifungal agent (MIC[CA] = 15 μg/mL, MIC[CR] = 15 μg/mL, MIC[RO] = 10?μg/mL). Another analog, 7,9-dimethyl-11H-xantheno[2,1-c][1,2,5]selenadiazol-11-one (Vj) was also identified as a potent antibacterial agent (MIC[BS] = 2.5 μg/mL, MIC[SA] = 15 μg/mL, MIC[SE] = 2.5 μg/mL, MIC[EC] = 10 μg/mL, MIC[PA] = 15 μg/mL, MIC[KP] = 20 μg/mL), and a potent antifungal agent (MIC[CA]?= 2.5 g/mL, MIC[CR] = 10 μg/mL MIC[RO] = 15 μg/mL and MIC[AN] = 10 μg/mL). Based on the MIC data analogs, 7,9-dimethoxy-11H-xantheno[2,1-c][1,2,5]selenadiazol-11-one (Vc) and 7,9-dimethyl-11H-xantheno[2,1-c][1,2,5]selena-diazol-11-one (Vj) were identified as the most potent antimicrobial agents in the series. All these 11H-xantheno[2,1-c][1,2,5]selenadiazol-11-one derivatives (Va–m) were also evaluated for their antitubercular activity against MTB H37Rv. Analogs, 7,9-dimethoxy-11H-xantheno[2,1-c][1,2,5]selenadiazol-11-one (Vc) and 7,9-dimethyl-11H-xantheno[2,1-c][1,2,5]selenadiazol-11-one (Vj) showed MIC of 3.12 μg/mL. These results suggest that analogs, 7,9-dimethoxy-11H-xantheno[2,1-c][1,2,5]selenadiazol-11-one (Vc) and 7,9-dimethyl-11H-xantheno[2,1-c][1,2,5]selenadiazol-11-one (Vj) may be a potential multifunctional ligands for the development of highly effective antimicrobial and antitubercular activity.

INHIBITION OF HIF-2α HETERODIMERIZATION WITH HIF1β (ARNT)

-

Paragraph 0103, (2014/06/11)

Provided is a method of inhibiting heterodimerization of HIF-2α to HIF1β (ARNT) comprising binding certain small molecules to the HIF-2α PAS-B domain cavity but not to HIF1α and inhibiting HIF-2α heterodimerization to HIF1β (ARNT) but not inhibiting HIF1α

Development of inhibitors of the PAS-B domain of the HIF-2α transcription factor

Rogers, Jamie L.,Bayeh, Liela,Scheuermann, Thomas H.,Longgood, Jamie,Key, Jason,Naidoo, Jacinth,Melito, Lisa,Shokri, Cameron,Frantz, Doug E.,Bruick, Richard K.,Gardner, Kevin H.,MacMillan, John B.,Tambar, Uttam K.

supporting information, p. 1739 - 1747 (2013/03/29)

Hypoxia inducible factors (HIFs) are heterodimeric transcription factors induced in a variety of pathophysiological settings, including cancer. We describe the first detailed structure-activity relationship study of small molecules designed to inhibit HIF-2α-ARNT heterodimerization by binding an internal cavity of the HIF-2α PAS-B domain. Through a series of biophysical characterizations of inhibitor-protein interactions (NMR and X-ray crystallography), we have established the structural requirements for artificial inhibitors of the HIF-2α-ARNT PAS-B interaction. These results may serve as a foundation for discovering therapeutic agents that function by a novel mode of action.

TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS

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Page/Page column 73-74, (2009/01/24)

Compounds of formula I: wherein variables A1, A2, B, m, n, J, R4, G1, G2, G3 and Y are as described herein, which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

INDOLYLMALEIMIDE DERIVATIVES

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Page/Page column 42-43, (2008/06/13)

A compound of formula (I) wherein R, R1, and R2, ring A and ring B are as defined in the specification, processes for their production, their uses, in particular in transplantation, and pharmaceutical compositions containing them.

SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS

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Page/Page column 114, (2008/06/13)

Compounds of formula (I): (wherein variables A1, A2, A3, A4, A5, A6, A7, B1, B2, B3, B4, D1, D2, E1, E2, E3, E4, E5, G1, G2, J, K, T, U, V, W, X, Y and Z are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS

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Page/Page column 110, (2008/06/13)

Compounds of formula I: (wherein variables A1, A2, A3, A4, A5, A6, A7, B1, B2, B3, B4, D1, D2, E1, E2, E3, E4, E5, G1, G2, R6, T, U, V, W, X, Y and Z are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS

-

Page/Page column 54, (2008/06/13)

The present invention is directed to compounds of Formula I: I (where A1, A2, B1, B2, B3, B4, D1, D2, T, U, V, W, X, Y, Z, R4, R5a?, R5b/su

TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS

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Page/Page column 77-78, (2010/10/20)

The present invention is directed to compounds of Formula I: I (where A1, A2, B1, B2, B3, B4, D1, D2, J, K, T, U, V, W, X, Y, Z, R4, R5a, R5b, R5c, m and n are defined herein) useful as antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as headache, migraine and cluster headache. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

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