438239-16-8

Basic information

• Product Name: 2-chloro-5-[5-({1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)-2-furyl]benzoic acid
• Synonyms: 2-chloro-5-[5-({1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)-2-furyl]benzoic acid
• CAS NO: 438239-16-8
• Molecular Formula: C25H19ClN2O6
• Molecular Weight: 478.88116
• Mol File: 438239-16-8.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-chloro-5-[5-({1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)-2-furyl]benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-5-[5-({1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)-2-furyl]benzoic acid(438239-16-8)
• EPA Substance Registry System: 2-chloro-5-[5-({1-[4-(ethoxycarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)-2-furyl]benzoic acid(438239-16-8)

Safety Data

• Hazardous Substances Data: 438239-16-8(Hazardous Substances Data)

Upstream product

• 1899-24-7 5-bromo-2-furancarboxaldehyde 
• 355142-36-8 2-chloro-5-(5-formylfuran-2-yl)benzoic acid 
• 107430-36-4 ethyl 4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate 
• 24589-77-3 4-hydrazinobenzoic acid hydrochloride 
• 60875-16-3 4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid 

Relevant articles and documents

XPA INHIBITOR COMPOUNDS AND THEIR USE

The present disclosure relates to certain compounds having binding affinity for XPA, and uses thereof. Specifically, the present disclosure relates to the use of XPA inhibitors as described herein in in methods of treating cancer.

Design and Structure-Guided Development of Novel Inhibitors of the Xeroderma Pigmentosum Group A (XPA) Protein-DNA Interaction

XPA is a unique and essential protein required for the nucleotide excision DNA repair pathway and represents a therapeutic target in oncology. Herein, we are the first to develop novel inhibitors of the XPA-DNA interaction through structure-guided drug design efforts. Ester derivatives of the compounds 1 (X80), 22, and 24 displayed excellent inhibitory activity (IC50 of 0.82 ± 0.18 μM and 1.3 ± 0.22 μM, respectively) but poor solubility. We have synthesized novel amide derivatives that retain potency and have much improved solubility. Furthermore, compound 1 analogs exhibited good specificity for XPA over RPA (replication protein A), another DNA-binding protein that participates in the nucleotide excision repair (NER) pathway. Importantly, there were no significant interactions observed by the X80 class of compounds directly with DNA. Molecular docking studies revealed a mechanistic model for the interaction, and these studies could serve as the basis for continued analysis of structure-activity relationships and drug development efforts of this novel target.

KU INHIBITORS AND THEIR USE

The present disclosure relates to certain compounds having binding affinity for Ku, and uses thereof. Specifically, the present disclosure relates to the use of Ku inhibitors as described herein in site-specific genome engineering technologies, including but not limited to CRISPR/Cas9, Zinc finger nuclease (ZFN), Transcription activator-like effector nuclease (TALEN), and meganuclease. The present disclosure also relates to kits useful for site-specific genome engineering that include at least one compound as described herein.