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CHEMBRDG-BB 9071320 is a pyrazole derivative with the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. It possesses potential antineoplastic and antitumor properties and has been studied for its potential as a small molecule inhibitor of histone deacetylase (HDAC), an enzyme involved in the regulation of gene expression and cell growth.
Used in Pharmaceutical Industry:
CHEMBRDG-BB 9071320 is used as a potential antineoplastic and antitumor agent for its ability to modulate the expression of genes involved in cancer progression and potentially inhibit the growth of cancer cells.
Used in Cancer Research:
CHEMBRDG-BB 9071320 is used as a small molecule inhibitor of histone deacetylase (HDAC) for its potential to regulate gene expression and cell growth, thereby affecting cancer progression.
Further research is needed to fully understand the mechanism of action and therapeutic potential of CHEMBRDG-BB 9071320 in the treatment of cancer.

5729-16-8

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5729-16-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5729-16-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,7,2 and 9 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5729-16:
(6*5)+(5*7)+(4*2)+(3*9)+(2*1)+(1*6)=108
108 % 10 = 8
So 5729-16-8 is a valid CAS Registry Number.
InChI:InChI=1/C14H16N2O/c1-17-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15/h2-9,16H,10,15H2,1H3

5729-16-8SDS

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 N-(4-methoxy-benzyl)-benzene-1,2-diamine

1.2 Other means of identification

Product number -
Other names -

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

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

More Details:5729-16-8 SDS

5729-16-8Relevant academic research and scientific papers

Chromium-Catalyzed Alkylation of Amines by Alcohols

Fertig, Robin,Irrgang, Torsten,Kallmeier, Fabian,Kempe, Rhett

supporting information, p. 11789 - 11793 (2020/05/26)

The alkylation of amines by alcohols is a broadly applicable, sustainable, and selective method for the synthesis of alkyl amines, which are important bulk and fine chemicals, pharmaceuticals, and agrochemicals. We show that Cr complexes can catalyze this C?N bond formation reaction. We synthesized and isolated 35 examples of alkylated amines, including 13 previously undisclosed products, and the use of amino alcohols as alkylating agents was demonstrated. The catalyst tolerates numerous functional groups, including hydrogenation-sensitive examples. Compared to many other alcohol-based amine alkylation methods, where a stoichiometric amount of base is required, our Cr-based catalyst system gives yields higher than 90 % for various alkyl amines with a catalytic amount of base. Our study indicates that Cr complexes can catalyze borrowing hydrogen or hydrogen autotransfer reactions and could thus be an alternative to Fe, Co, and Mn, or noble metals in (de)hydrogenation catalysis.

Benzimidazole Derivatives as Novel Zika Virus Inhibitors

Anh, Le Duc,De, Tran Quang,Duc Thanh, Danh La,Dupont-Rouzeyrol, Myrielle,Grailhe, Regis,Hue, Bui Thi Buu,Jo, Eunji,Nguyen, Phuong Hong,Son, Nguyen Hoang,Thoa, Than Thi,Van Hieu, Mai,Van Tuan, Nguyen,Windisch, Marc P.

, p. 1453 - 1463 (2020/05/25)

We have synthesized 50 benzimidazole (BMZ) derivatives with 1,2-phenylenediamines and aromatic aldehydes under mild oxidation conditions by using inexpensive, nontoxic inorganic salt sodium metabisulfite in a one-pot condensation reaction and screened their ability to interfere with Zika virus (ZIKV) infection utilizing a cell-based phenotypic assay. Seven BMZs inhibited an African ZIKV strain with a selectivity index (SI=CC50/EC50) of 9–37. Structure-activity relationship analysis demonstrated that substitution at the C-2, N-1, and C-5 positions of the BMZ ring were important for anti-ZIKV activity. The hybrid structure of BMZ and naphthalene rings was a structural feature responsible for the high anti-ZIKV activity. Importantly, BMZs inhibited ZIKV in human neural stem cells, a physiologically relevant system considering the severe congenital anomalies, like microcephaly, caused by ZIKV infection. Compound 39 displayed the highest antiviral efficacy against the African ZIKV strain in Huh-7 (SI>37) and neural stem cells (SI=12). Compound 35 possessed the highest activity in Vero cells (SI=115). Together, our data indicate that BMZs derivatives have to be considered for the development of ZIKV therapeutic interventions.

Indoloquinoxaline derivatives as promising multi-functional anti-Alzheimer agents

Kanhed, Ashish M.,Patel, Dushyant V.,Patel, Kirti V.,Patel, Kishan B.,Patel, Nirav R.,Prajapati, Navnit K.,Sinha, Anshuman,Thakor, Priyanka S.,Yadav, Mange Ram

, (2020/11/02)

To confront a disease like Alzheimer’s disease having complex pathogenesis, development of multitarget-directed ligands has emerged as a promising drug discovery approach. In our endeavor towards the development of multitarget-directed ligands for Alzheimer’s disease, a series of indoloquinoxaline derivatives were designed and synthesized. In vitro cholinesterase inhibition studies revealed that all the synthesized compounds exhibited moderate to good cholinesterase inhibitory activity. 6-(6-(Piperidin-1-yl)hexyl)-6H-indolo[2,3-b]quinoxaline 9f was identified as the most potent and selective BuChE inhibitor (IC50 = 0.96 μM, selectivity index = 0.17) that possessed 2 fold higher BuChE inhibitory activity compared to the commercially approved reference drug donepezil (IC50 = 1.87 μM). Moreover, compound 9f is also endowed with self-induced Aβ1-42 aggregation inhibitory activity (51.24% inhibition at 50 μM concentration). Some of the compounds of the series also displayed moderate anti-oxidant activity. To perceive a putative binding mode of the compound 9f, molecular docking studies were carried out, and the results pointed out significant interactions of compound 9f with the enzymes in the binding sites of cholinesterases as well as Aβ1-42. Additionally, compound 9f exhibited favorable in silico ADMET properties. Put together these findings project compound 9f as a potential multitarget-directed ligand in the direction of developing novel anti-AD drugs. Communicated by Ramaswamy H. Sarma.

Synthesis of Structurally Diverse Benzotriazoles via Rapid Diazotization and Intramolecular Cyclization of 1,2-Aryldiamines

Faggyas, Réka J.,Sloan, Nikki L.,Buijs, Ned,Sutherland, Andrew

, p. 5344 - 5353 (2019/05/21)

An operationally simple method has been developed for the preparation of N-unsubstituted benzotriazoles by diazotization and intramolecular cyclization of a wide range of 1,2-aryldiamines under mild conditions, using a polymer-supported nitrite reagent and p-tosic acid. The functional group tolerance of this approach was further demonstrated with effective activation and cyclization of N-alkyl, -aryl, and -acyl ortho-aminoanilines leading to the synthesis of N1-substituted benzotriazoles. The synthetic utility of this one-pot heterocyclization process was exemplified with the preparation of a number of biologically and medicinally important benzotriazole scaffolds, including an α-amino acid analogue.

Rapid construction of imidazopyridines from ortho-haloaminopyridines

Li, Chaomin,Chen, Lily,Steinhuebel, Dietrich,Goodman, Andrew

supporting information, p. 2708 - 2712 (2016/06/09)

A practical strategy for the preparation of imidazopyridine derivatives from ortho-haloaminopyridines utilizing a two-step C-N coupling/cyclization reaction sequence has been developed. This procedure provides rapid and efficient access to many medicinally interesting imidazopyridine compounds and related imidazopyrazine/purine heterocycles.

Discovery of isoalloxazine derivatives as a new class of potential anti-Alzheimer agents and their synthesis

Kanhed, Ashish M.,Sinha, Anshuman,Machhi, Jatin,Tripathi, Ashutosh,Parikh, Zalak S.,Pillai, Prakash P.,Giridhar, Rajani,Yadav, Mange Ram

, p. 7 - 12 (2015/06/08)

This article describes discovery of a novel and new class of cholinesterase inhibitors as potential therapeutics for Alzheimer's disease. A series of novel isoalloxazine derivatives were synthesized and biologically evaluated for their potential inhibitory outcome for both acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). These compounds exhibited high activity against both the enzymes AChE as well as BuChE. Of the synthesized compounds, the most potent isoalloxazine derivatives (7m and 7q) showed IC50 values of 4.72 μM and 5.22 μM respectively against AChE; and, 6.98 μM and 5.29 μM respectively against BuChE. These two compounds were further evaluated for their anti-aggregatory activity for β-amyloid (Aβ) in presence and absence of AChE by performing Thioflavin-T (ThT) assay and Congo red (CR) binding assay. In order to evaluate cytotoxic profile of these two potential compounds, cell viability assay of SH-SY5Y human neuroblastoma cells was performed. Further, to understand the binding behavior of these two compounds with AChE and BuChE enzymes, docking studies have been reported.

CuBr-Catalyzed Oxidation/Coupling: An Efficient and Applicable Strategy for the Synthesis of 2-Aryl Benzimidazoles from 1-Fluoro-2-nitrobenzene and Benzylamines

Mirza, Behrooz,Zeeb, Mohsen

, p. 534 - 540 (2015/10/29)

A novel and efficient route has been developed for the synthesis of benzimidazole derivatives via ligand-free CuBr-catalyzed oxidation and cyclization of 1,2-diamines derived from 1-fluoro-2-nitrobenzene and different arylamines as starting materials. GRAPHICAL ABSTRACT.

Metal-free TEMPO-promoted C(sp3)-H amination to afford multisubstituted benzimidazoles

Xue, Ding,Long, Ya-Qiu

, p. 4727 - 4734 (2014/06/09)

An efficient TEMPO-air/cat. TEMPO-O2 oxidative protocol was developed to synthesize multisubstituted or fused tetracyclic benzimidazoles via a metal-free oxidative C-N coupling between the sp3 C-H and free N-H of readily available N1-benzyl/alkyl-1,2-phenylenediamines.

Sustainable synthesis of diverse privileged heterocycles by palladium-catalyzed aerobic oxidative isocyanide insertion

Vlaar, Tj?stil,Cioc, Razvan C.,Mampuys, Pieter,Maes, Bert U. W.,Orru, Romano V. A.,Ruijter, Eelco

supporting information, p. 13058 - 13061 (2013/02/26)

Heterocycles containing a guanidine moiety are of great importance in medicinal chemistry (Scheme 1).[1] As a result, several methods for the synthesis of these "privileged scaffolds" have been reported.[2, 3] Classical approaches, such as the addition of diamines to isothiocyanates followed by condensation and the coupling of diamines with cyanogen bromide,[2, 4] have some clear limitations, such as the availability and toxicity of reagents. Moreover, these procedures suffer from poor atom and/or step efficiency, thus making them unattractive from a sustainability point of view.

CCK OR GASTRIN MODULATING 5-HETEROCYCLIC-1, 5 BENZODIAZEPINES

-

, (2008/06/13)

Compounds of general formula (I) and physiologically salts thereof, processes for their preparation and their use as modulators of the effects of gastrin and CCK.

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