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N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea is a complex chemical compound with the molecular formula C20H18F6N2OS. It is a thiourea derivative characterized by a substituted indene moiety and two trifluoromethyl groups attached to a phenyl ring. N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea holds potential in medicinal chemistry and pharmaceutical research due to its unique structural features and the diverse biological activities associated with thiourea derivatives, such as antiviral, antibacterial, and anti-tumor properties. The presence of the indene moiety further enhances its potential pharmacological relevance.

949480-57-3

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949480-57-3 Usage

Uses

Used in Pharmaceutical Research:
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea is used as a research compound for exploring its potential biological activities. N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea's unique structure, including the trifluoromethyl groups and the substituted indene moiety, may contribute to its pharmacological properties, making it a candidate for further investigation in drug development.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea is utilized as a starting material or a scaffold for the design and synthesis of new therapeutic agents. Its structural features can be modified to optimize its biological activity and selectivity, potentially leading to the discovery of novel drugs with improved efficacy and safety profiles.
Used in Antiviral Applications:
Given the antiviral properties of some thiourea derivatives, N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea may be used as an antiviral agent. Its potential to inhibit viral replication or disrupt viral life cycles could be explored through in vitro and in vivo studies, with the aim of developing new antiviral therapies.
Used in Antibacterial Applications:
Similarly, the compound's potential antibacterial properties could be investigated, as some thiourea derivatives have demonstrated activity against various bacterial strains. Research into its mechanism of action and effectiveness against antibiotic-resistant bacteria could contribute to the development of new antimicrobial agents.
Used in Anti-tumor Applications:
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea may also be studied for its anti-tumor properties, given the anti-tumor activities observed in some thiourea derivatives. Its potential to inhibit tumor growth, induce apoptosis, or disrupt cancer cell signaling pathways could be explored in preclinical cancer research.

Check Digit Verification of cas no

The CAS Registry Mumber 949480-57-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,4,9,4,8 and 0 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 949480-57:
(8*9)+(7*4)+(6*9)+(5*4)+(4*8)+(3*0)+(2*5)+(1*7)=223
223 % 10 = 3
So 949480-57-3 is a valid CAS Registry Number.

949480-57-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2R)-2-hydroxy-2,3-dihyd ro-1H-inden-1-yl]thioure

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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More Details:949480-57-3 SDS

949480-57-3Relevant academic research and scientific papers

Hydrogen Bonding Networks in Chiral Thiourea Organocatalysts: Evidence on the Importance of the Aminoindanol Moiety

Gimeno, M. Concepción,Herrera, Raquel P.

, p. 5091 - 5099 (2016/10/12)

The crystal structures of four chiral thioureas, which are normally used as organocatalysts, are reported by the first time. Each compound is assembled in the crystal in a different way according to their chiral moiety in the thiourea skeleton, being depe

Exploiting molecular self-assembly: From urea-based organocatalysts to multifunctional supramolecular gels

Schoen, Eva-Maria,Marques-Lopez, Eugenia,Herrera, Raquel P.,Aleman, Carlos,Diaz, David Diaz

, p. 10720 - 10731 (2014/11/08)

We describe the self-assembly properties of chiral N,N′-disubstituted urea-based organocatalyst 1 that leads to the formation of hierarchical supramolecular gels in organic solvents at low concentrations. The major driving forces for the gelation are hydr

Thiourea catalyzed organocatalytic enantioselective Michael addition of diphenyl phosphite to nitroalkenes

Alcaine, Ana,Marques-Lopez, Eugenia,Merino, Pedro,Tejero, Tomas,Herrera, Raquel P.

scheme or table, p. 2777 - 2783 (2011/05/04)

Bifunctional thiourea catalyzes the enantioselective Michael addition reaction of diphenyl phosphite to nitroalkenes. This methodology provides a facile access to enantiomerically enriched β-nitrophosphonates, precursors for the preparation of synthetically and biologically useful β-aminophosphonic acids. DFT level of computational calculations invoke the attack of the diphenyl phosphite to the nitroolefin by the Re face, this give light to this scarcely explored process update in the literature. The computational calculations support the absolute configuration obtained in the final adducts.

Enhanced efficiency of thiourea catalysts by external Bronsted acids in the Friedel-Crafts alkylation of indoles

Marques-Lopez, Eugenia,Alcaine, Ana,Tejero, Tomas,Herrera, Raquel P.

supporting information; experimental part, p. 3700 - 3705 (2011/09/14)

A novel study on the influence of external Bronsted acids on thiourea catalysts in the asymmetric Friedel-Crafts alkylation of indoles with nitroalkenes is reported. The final 3-substituted indole derivatives were synthesized with better results because o

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