925672-87-3

Basic information

• Product Name: 5-BROMO-A,2-DICYANOBENZENEACETIC ACID METHYL ESTER
• Synonyms: 5-BROMO-A,2-DICYANOBENZENEACETIC ACID METHYL ESTER;Methyl 2-(5-broMo-2-cyanophenyl)-2-cyanoacetate
• CAS NO: 925672-87-3
• Molecular Formula: C₁₁H₇BrN₂O₂
• Molecular Weight: 0
• Mol File: 925672-87-3.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 5-BROMO-A,2-DICYANOBENZENEACETIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-A,2-DICYANOBENZENEACETIC ACID METHYL ESTER(925672-87-3)
• EPA Substance Registry System: 5-BROMO-A,2-DICYANOBENZENEACETIC ACID METHYL ESTER(925672-87-3)

Safety Data

• Hazardous Substances Data: 925672-87-3(Hazardous Substances Data)

Upstream product

• 105942-08-3 4-bromo-6-fluorobenzonitrile 
• 105-34-0 methyl 2-cyanoacetate 

Downstream Products

• 925672-88-4 4-bromo-2-(cyanomethyl)benzonitrile 
• 501130-49-0 6-bromoisoquinoline-1,3(2H,4H)-dione 
• 925673-01-4 C₁₉H₁₇BrN₂O₂ 
• 925672-98-6 C₁₇H₁₅BrN₂O 
• 925672-85-1 1,6-dibromoisoquinolin-3-amine 

Relevant articles and documents

Isoquinoline-1,3-diones as Selective Inhibitors of Tyrosyl DNA Phosphodiesterase II (TDP2)

Tyrosyl DNA phosphodiesterase II (TDP2) is a recently discovered enzyme that specifically repairs DNA damages induced by topoisomerase II (Top2) poisons and causes resistance to these drugs. Inhibiting TDP2 is expected to enhance the efficacy of clinically important Top2-targeting anticancer drugs. However, TDP2 as a therapeutic target remains poorly understood. We report herein the discovery of isoquinoline-1,3-dione as a viable chemotype for selectively inhibiting TDP2. The initial hit compound 43 was identified by screening our in-house collection of synthetic compounds. Further structure-activity relationship (SAR) studies identified numerous analogues inhibiting TDP2 in low micromolar range without appreciable inhibition against the homologous TDP1 at the highest testing concentration (111 μM). The best compound 64 inhibited recombinant TDP2 with an IC50 of 1.9 μM. The discovery of this chemotype may provide a platform toward understanding TDP2 as a drug target.