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The chemical compound "2-(12-benzyl-3-tert-butyl-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl)-N-(1-benzyl-2-hydroxyethyl)acetamide" is a complex organic molecule with a molecular formula of C31H39N2O5. It features a 1-oxa-4-azacyclotridec-8-en-6-yl core structure, which is a cyclic amine with an oxygen atom in the ring. The compound is adorned with a benzyl group at the 12th position and a tert-butyl group at the 3rd position, both of which contribute to its steric bulk. The 5th and 13th positions bear oxo groups, indicating the presence of carbonyl groups. The molecule also includes a 2-hydroxyethyl group attached to the nitrogen atom through an amide linkage, and a benzyl group at the 1st position of this hydroxyethyl moiety. This intricate structure likely confers specific properties and reactivity to the compound, which could be relevant in various chemical or pharmaceutical applications.

6052-43-3

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6052-43-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6052-43-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,0,5 and 2 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 6052-43:
(6*6)+(5*0)+(4*5)+(3*2)+(2*4)+(1*3)=73
73 % 10 = 3
So 6052-43-3 is a valid CAS Registry Number.

6052-43-3SDS

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 4-(benzoylamino)-Benzenesulfonic acid

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

More Details:6052-43-3 SDS

6052-43-3Relevant academic research and scientific papers

Efficient synthesis of readily water-soluble amides containing sulfonic groups

Idzik, Krzysztof R.,Noedler, Karsten,Licha, Tobias

, p. 133 - 140 (2014)

A series of various readily water-soluble amides were synthesized by different procedures. These compounds are useful chemical tracers for assessing the cooling progress in a georeservoir during geothermal power plant operation. Acylation of primary amine

Design, synthesis and biological evaluation of suramin-derived dual antagonists of the proinflammatory G protein-coupled receptors P2Y2 and GPR17

Pillaiyar, Thanigaimalai,Funke, Mario,Al-Hroub, Haneen,Weyler, Stefanie,Ivanova, Sabrina,Schlegel, Jonathan,Abdelrahman, Aliaa,Müller, Christa E.

, (2019/11/28)

Dual- or multi-target drugs are particularly promising for the treatment of complex diseases such as (neuro)inflammatory disorders. In the present study, we identified dual antagonists for two related pro-inflammatory G protein-coupled receptors (GPCRs), the purinergic receptor P2Y2 receptor, and the orphan receptor GPR17. Based on the lead compound suramin small molecules were designed, synthesized, and modified, including benzenesulfonate, benzenesulfonamide, dibenzamide and diphenylurea derivatives. Structure-activity relationship studies identified 3-nitrophenyl 4-benzamidobenzenesulfonic acid derivatives as dual P2Y2R/GPR17 antagonists. In particular, 3-nitrophenyl 4-(4-chlorobenzamido)benzenesulfonate (14l, IC50 3.01 μM at P2Y2R, and 3.37 μM at GPR17) and 3-nitrophenyl-4-(2-chlorobenzamido)benzenesulfonate (14m, IC50 3.17 μM at P2Y2R, and 1.67 μM at GPR17) exhibited dual antagonistic activity. Compound 14l was shown to act as an allosteric antagonist at both receptors. In addition, GPR17-selective antagonists were identified including 3-nitrophenyl 4-benzamidobenzenesulfonate (14a, IC50 3.20 μM) and 3-nitrophenyl 4-(3-(trifluoromethyl)benzamido)benzenesulfonate (14f, IC50 3.88 μM). The developed antagonists were selective versus other closely related P2Y receptors. They were found to possess high chemical and metabolic stability in human liver microsomes and therefore present good starting points for developing potent multi-target drugs with potential applications in inflammatory diseases.

Brine-mediated efficient benzoylation of primary amines and amino acids

Chattopadhyay, Gautam,Chakraborty, Suchandra,Saha, Chandan

experimental part, p. 4068 - 4075 (2009/04/11)

Benzoylation of primary amines and amino acids is efficiently carried out in a brine solution using a stoichiometric amount of benzoyl chloride followed by trituration with aqueous saturated bicarbonate solution. Copyright Taylor & Francis Group, LLC.

Catalysis of Sulfonate Ester Hydrolysis by Intramolecular Amide Group Assistance.

Thea, Sergio,Guanti, Giuseppe,Hopkins, Andrew R.,Williams, Andrew

, p. 3336 - 3341 (2007/10/02)

Kinetics of the alkaline hydrolysis of aryl 2-(acylamino)benzenesulfonates (1, X=OAr) obey the equation kobs=(Ka+kb->/(1++>/Ko).Hammett equations correlate the parameters ka, kb, and Ka for variation in both amido and leaving phenolate substituents.The values and sign of the ρ values together with entropy of activation data, reactivity trapping, and oxygen-18 incorporation are consistent with the formation of an intermediate benzoxathiazine S,S-dioxide (2).The ka term involves intramolecular attack of the amido anion.The kb term is consistent with a specific anion effect on ka.Regular bimolecular BAc2 mechanisms for ka and kb are not consistent with the high observed reactivity of these parameters.

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