313653-93-9Relevant academic research and scientific papers
Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells
Camara, Ramatoulie,Ogbeni, Deborah,Gerstmann, Lisa,Ostovar, Mehrnoosh,Hurer, Ellie,Scott, Mark,Mahmoud, Nasir G.,Radon, Tomasz,Crnogorac-Jurcevic, Tatjana,Patel, Pryank,Mackenzie, Louise S.,Chau, David Y.S.,Kirton, Stewart B.,Rossiter, Sharon
, (2020/07/23)
S100P, a calcium-binding protein, is known to advance tumor progression and metastasis in pancreatic and several other cancers. Herein is described the in silico identification of a putative binding pocket of S100P to identify, synthesize and evaluate novel small molecules with the potential to selectively bind S100P and inhibit its activation of cell survival and metastatic pathways. The virtual screening of a drug-like database against the S100P model led to the identification of over 100 clusters of diverse scaffolds. A representative test set identified a number of structurally unrelated hits that inhibit S100P-RAGE interaction, measured by ELISA, and reduce in vitro cell invasion selectively in S100P-expressing pancreatic cancer cells at 10 μM. This study establishes a proof of concept in the potential for rational design of small molecule S100P inhibitors for drug candidate development.
ANTHRACENE BASED COMPOUNDS AND THEIR USES
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Page/Page column 27, (2016/12/01)
The present invention relates to compounds of the general formula (A) and their applicability for use in the treatment or prophylaxis of a disease, in particular for use as in treatment of cancer, in particular for use as in treatment of pancreatic cancer, in particular as inhibitors of S100P/RAGE interaction in pancreatic cancer. In summary herein are presented a group of compounds for use as in treatment of cancer, in particular as inhibitors of S100P/RAGE interaction in pancreatic cancer. The compounds have general formula (A): (A) or may be a pharmaceutically acceptable salt, solvate, hydrate, polymorph, prodrug, codrug, cocrystal, tautomer, racemate, stereoisomer or mixture thereof. X is independently NO2 or H; and Y is independently H or a side group. The compounds all have a lower fused ring system based on nitroanthracene or anthracene. The group Y attached to the N of the succinimide group varies between the compounds. For example, Y may be substituted or non-substituted benzene ring. Alternatively, in some examples Y is a heteroaromatic system. It has been discovered from studies by the inventors that the compounds described will inhibit S100P/RAGE interaction and are therefore useful for treating pancreatic cancer.
Modular Design of Hosts Involving a Rigid Succinimide Framework and N-Bonded Lateral Groups. Crystalline Inclusion Properties and Crystal Structures of Inclusion Compounds with Dioxane, MeOH, and DMF
Weber, Edwin,Finge, Stephan,Csoeregh, Ingeborg
, p. 7281 - 7288 (2007/10/02)
A series of crystalline host molecules comprising a characteristic 9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxamide framework have been synthesized and studied with regard to their inclusion behavior.They follow a new design concept which is to conv
