330829-30-6 Usage
Description
N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide, also known as MRT 10, is a novel high-affinity antagonist of the Smoothened (Smo) receptor. It is characterized by its ability to displace labeled cyclopamine from Smo with an IC50 of 500 nM and inhibit shh-induced Gli-reporter activity in Shh-light2 cells with an IC50 value of 0.64 μM. MRT 10 also demonstrates the capacity to inhibit bodipy-cyclopamine binding to the murine Smo receptor when expressed in HEK293 cells, with an IC50 of 0.5 μM.
Uses
Used in Pharmaceutical Industry:
N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide is used as a therapeutic agent for targeting the Smoothened (Smo) receptor. Its application is primarily due to its high affinity and antagonistic properties, which make it a potential candidate for the treatment of various diseases and conditions that involve the Smo receptor pathway.
Used in Research and Development:
In the field of research and development, N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide is utilized as a valuable tool for studying the role and function of the Smo receptor in cellular processes. Its ability to inhibit the receptor's activity allows researchers to investigate the underlying mechanisms and potential therapeutic targets related to the Smo receptor pathway.
Used in Drug Discovery and Design:
N-[[[3-[(Benzoyl)amino]phenyl]amino](thioxo)methyl]-3,4,5-trimethoxybenzamide serves as a lead compound in the drug discovery and design process. Its antagonistic properties towards the Smo receptor make it a promising starting point for the development of new drugs targeting this receptor, potentially leading to the creation of more effective and selective therapeutic agents for various diseases.
Check Digit Verification of cas no
The CAS Registry Mumber 330829-30-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,3,0,8,2 and 9 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 330829-30:
(8*3)+(7*3)+(6*0)+(5*8)+(4*2)+(3*9)+(2*3)+(1*0)=126
126 % 10 = 6
So 330829-30-6 is a valid CAS Registry Number.
330829-30-6Relevant articles and documents
Virtual screening-based discovery and mechanistic characterization of the acylthiourea MRT-10 family as smoothened antagonists
Manetti, Fabrizio,Faure, Helene,Roudaut, Hermine,Gorojankina, Tatiana,Traiffort, Elisabeth,Schoenfelder, Angele,Mann, Andre,Solinas, Antonio,Taddei, Maurizio,Ruat, Martial
, p. 658 - 665 (2010)
The seven-transmembrane receptor Smoothened (Smo) is the major component involved in signal transduction of the Hedgehog (Hh) morphogens. Smo inhibitors represent a promising alternative for the treatment of several types of cancers linked to abnormal Hh signaling. Here, on the basis of experimental data, we generated and validated a pharmacophoric model for Smo inhibitors constituted by three hydrogen bond acceptor groups and three hydrophobic regions. We used this model for the virtual screening of a library of commercially available compounds. Visual and structural criteria allowed the selection of 20 top scoring ligands, and an acylthiourea, N-(3-benzamidophenylcarbamothioyl)-3,4,5- trimethoxybenzamide (MRT-10), was identified and characterized as a Smo antagonist. The corresponding acylurea, N-(3-benzamidophenylcarbamoyl)-3,4,5- trimethoxybenzamide (MRT-14), was synthesized and shown to display, in various Hh assays, an inhibitory potency comparable to or greater than that of reference Smo antagonists cyclopamine and N-((3S,5S)-1-(benzo[d][1,3]dioxol-5-ylmethyl)- 5-(piperazine-1-carbonyl)pyrrolidin-3-yl)-N-(3-methoxybenzyl)-3, 3-dimethylbutanamide (Cur61414). Focused virtual screening of the same library further identified five additional related antagonists. MRT-10 and MRT-14 constitute the first members of novel families of Smo antagonists. The described virtual screening approach is aimed at identifying novel modulators of Smo and of other G-protein coupled receptors. Copyright
N-Acylthiourea and N-Acylurea Inhibitors of the Hedgehog Protein Signalling Pathway
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Page/Page column 17, (2011/11/13)
The present invention relates to the use of acylthiourea or acylurea derivatives for the treatment of pathologies involving a tissue dysfunction associated with a deregulation of the Hedgehog protein signalling pathway, and also to novel acylthiourea or a
