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N-(4-Ethylenedioxycylohexyl)-1-amino-2,2-diethoxyethane is a chemical compound with the molecular formula C14H27NO3. It is a derivative of cyclohexylamine and diethoxyethane, featuring an ethylenedioxy ring and an amine group. N-(4-Ethylenedioxycylohexyl)-1-amino-2,2-diethoxyethane has potential applications in various fields, including organic synthesis, pharmaceutical research, and medicinal chemistry, due to its unique chemical structure and functional groups.

176492-83-4

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176492-83-4 Usage

Uses

Used in Organic Synthesis:
N-(4-Ethylenedioxycylohexyl)-1-amino-2,2-diethoxyethane is used as a building block in the production of complex organic molecules. Its ethylenedioxy ring and amine group provide opportunities for further chemical reactions and modifications, making it a valuable component in the synthesis of various organic compounds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, N-(4-Ethylenedioxycylohexyl)-1-amino-2,2-diethoxyethane is used as a starting material or intermediate in the development of new drugs. Its unique chemical structure and functional groups may contribute to the discovery of novel therapeutic agents with potential pharmacological effects.
Used in Medicinal Chemistry:
N-(4-Ethylenedioxycylohexyl)-1-amino-2,2-diethoxyethane is utilized in medicinal chemistry for the design and optimization of drug candidates. Its properties and reactivity can be leveraged to create molecules with specific biological activities, potentially leading to the development of new treatments for various diseases and conditions.
Further research and testing are necessary to fully understand the properties and potential applications of N-(4-Ethylenedioxycylohexyl)-1-amino-2,2-diethoxyethane, as well as to explore its potential pharmacological effects and optimize its use in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 176492-83-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,6,4,9 and 2 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 176492-83:
(8*1)+(7*7)+(6*6)+(5*4)+(4*9)+(3*2)+(2*8)+(1*3)=174
174 % 10 = 4
So 176492-83-4 is a valid CAS Registry Number.

176492-83-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name N-(4-Ethylenedioxycylohexyl)-1-amino-2,2-diethoxyethane

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

Emergency phone number -
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More Details:176492-83-4 SDS

176492-83-4Downstream Products

176492-83-4Relevant articles and documents

Highly stereoselective synthesis of a compound collection based on the bicyclic scaffolds of natural products

Annamalai, Murali,Hristeva, Stanimira,Bielska, Martyna,Ortega, Raquel,Kumar, Kamal

, (2017)

Despite the great contribution of natural products in the history of successful drug discovery, there are significant limitations that persuade the pharmaceutical industry to evade natural products in drug discovery research. The extreme scarcity as well as structural complexity of natural products renders their practical synthetic access and further modifications extremely challenging. Although other alternative technologies, particularly combinatorial chemistry, were embraced by the pharmaceutical industry to get quick access to a large number of small molecules with simple frameworks that often lack three-dimensional complexity, hardly any success was achieved in the discovery of lead molecules. To acquire chemotypes beholding structural features of natural products, for instance high sp3 character, the synthesis of compound collections based on core-scaffolds of natural products presents a promising strategy. Here, we report a natural product inspired synthesis of six different chemotypes and their derivatives for drug discovery research. These bicyclic heteroand carbocyclic scaffolds are highly novel, rich in sp3 features and with ideal physicochemical properties to display drug likeness. The functional groups on the scaffolds were exploited further to generate corresponding compound collections. Synthesis of two of these collections exemplified with ca. 350 compounds are each also presented. The whole compound library is being exposed to various biological screenings within the European Lead Factory consortium.

Synthesis of Indomorphan Pseudo-Natural Product Inhibitors of Glucose Transporters GLUT-1 and -3

Ceballos, Javier,Schwalfenberg, Melanie,Karageorgis, George,Reckzeh, Elena S.,Sievers, Sonja,Ostermann, Claude,Pahl, Axel,Sellstedt, Magnus,Nowacki, Jessica,Carnero Corrales, Marjorie A.,Wilke, Julian,Laraia, Luca,Tschapalda, Kirsten,Metz, Malte,Sehr, Dominik A.,Brand, Silke,Winklhofer, Konstanze,Janning, Petra,Ziegler, Slava,Waldmann, Herbert

, p. 17016 - 17025 (2019)

Bioactive compound design based on natural product (NP) structure may be limited because of partial coverage of NP-like chemical space and biological target space. These limitations can be overcome by combining NP-centered strategies with fragment-based compound design through combination of NP-derived fragments to afford structurally unprecedented “pseudo-natural products” (pseudo-NPs). The design, synthesis, and biological evaluation of a collection of indomorphan pseudo-NPs that combine biosynthetically unrelated indole- and morphan-alkaloid fragments are described. Indomorphane derivative Glupin was identified as a potent inhibitor of glucose uptake by selectively targeting and upregulating glucose transporters GLUT-1 and GLUT-3. Glupin suppresses glycolysis, reduces the levels of glucose-derived metabolites, and attenuates the growth of various cancer cell lines. Our findings underscore the importance of dual GLUT-1 and GLUT-3 inhibition to efficiently suppress tumor cell growth and the cellular rescue mechanism, which counteracts glucose scarcity.

Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne

Fournier, Jean-Fran?ois,Clary, Laurence,Chambon, Sandrine,Dumais, Laurence,Harris, Craig Steven,Millois, Corinne,Pierre, Romain,Talano, Sandrine,Thoreau, étienne,Aubert, Jérome,Aurelly, Michèle,Bouix-Peter, Claire,Brethon, Anne,Chantalat, Laurent,Christin, Olivier,Comino, Catherine,El-Bazbouz, Ghizlane,Ghilini, Anne-Laurence,Isabet, Tatiana,Lardy, Claude,Luzy, Anne-Pascale,Mathieu, Céline,Mebrouk, Kenny,Orfila, Danielle,Pascau, Jonathan,Reverse, Kevin,Roche, Didier,Rodeschini, Vincent,Hennequin, Laurent Fran?ois

supporting information, p. 4030 - 4051 (2018/05/23)

The use of an interleukin β antibody is currently being investigated in the clinic for the treatment of acne, a dermatological disorder affecting 650M persons globally. Inhibiting the protease responsible for the cleavage of inactive pro-IL1β into active IL-1β, caspase-1, could be an alternative small molecule approach. This report describes the discovery of uracil 20, a potent (38 nM in THP1 cells assay) caspase-1 inhibitor for the topical treatment of inflammatory acne. The uracil series was designed according to a published caspase-1 pharmacophore model involving a reactive warhead in P1 for covalent reversible inhibition and an aryl moiety in P4 for selectivity against the apoptotic caspases. Reversibility was assessed in an enzymatic dilution assay or by using different substrate concentrations. In addition to classical structure-activity-relationship exploration, topical administration challenges such as phototoxicity, organic and aqueous solubility, chemical stability in solution, and skin metabolic stability are discussed and successfully resolved.

Asymmetric synthesis of 2-azabicyclo[3.3.1]nonanes by a microwave-assisted organocatalysed tandem desymmetrisation and intramolecular aldolisation

Diaba, Faiza,Bonjoch, Josep

supporting information; experimental part, p. 2517 - 2519 (2009/10/30)

The six-membered nitrogen-containing ring of the morphan scaffold, ubiquitous in natural products, is formed by an intramolecular aldol process of an aza-tethered dicarbonyl compound, leading to the first asymmetric synthesis of a morphan derivative using

SUBSTITUTED N-CYCLOHEXYL IMIDAZOLINONES HAVING AN MCH-MODULATORY EFFECT

-

Page/Page column 44, (2008/06/13)

The invention relates to substituted N-cyclohexyl heterocycles as well as the physiologically acceptable salts and physiologically functional derivatives thereof, methods for the production thereof, and the use thereof as medicaments. Disclosed are compou

Substituted N-cycloexylimidazolinones, process for their preparation and their use as medicaments

-

Page/Page column 15, (2010/02/13)

The invention relates to substituted N-cyclohexylheterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof, to processes for their preparation and to their use as medicaments. Compounds of the formula I, in

Reductive amination of aldehydes and ketones with sodium triacetoxyborohydride. Studies on direct and indirect reductive amination procedures

Abdel-Magid, Ahmed F.,Carson, Kenneth G.,Harris, Bruce D.,Maryanoff, Cynthia A.,Shah, Rekha D.

, p. 3849 - 3862 (2007/10/03)

Sodium triacetoxyborohydride is presented as a general reducing agent for the reductive amination of aldehydes and ketones. Procedures for using this mild and selective reagent have been developed for a wide variety of substrates. The scope of the reaction includes aliphatic acyclic and cyclic ketones, aliphatic and aromatic aldehydes, and primary and secondary amines including a variety of weakly basic and nonbasic amines. Limitations include reactions with aromatic and unsaturated ketones and some sterically hindered ketones and amines. 1,2-Dichloroethane (DCE) is the preferred reaction solvent, but reactions can also be carried out in tetrahydrofuran (THF) and occasionally in acetonitrile. Acetic acid may be used as catalyst with ketone reactions, but it is generally not needed with aldehydes. The procedure is carried out effectively in the presence of acid sensitive functional groups such as acetals and ketals; it can also be carried out in the presence of reducible functional groups such as C-C multiple bonds and cyano and nitro groups. Reactions are generally faster in DCE than in THF, and in both solvents, reactions are faster in the presence of AcOH. In comparison with other reductive amination procedures such as NaBH3CN/MeOH, borane-pyridine, and catalytic hydrogenation, NaBH(OAc)3 gave consistently higher yields and fewer side products. In the reductive amination of some aldehydes with primary amines where dialkylation is a problem we adopted a stepwise procedure involving imine formation in MeOH followed by reduction with NaBH4.

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