763111-47-3

Basic information

• Product Name: 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one
• Synonyms: 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one;1-[5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine;4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]Methyl]-2H-phthalazin-1-one;4-[4'-fluoro-3'-(piperazine-1''-carbonyl)benzyl]-2H-phthalazin-1-one
• CAS NO: 763111-47-3
• Molecular Formula: C₂₀H₁₉FN₄O₂
• Molecular Weight: 366.3888632
• EINECS: 1592732-453-0
• Mol File: 763111-47-3.mol
• Article Data: 18

Chemical Properties

• Appearance: /
• Density: 1.39±0.1 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 12.07±0.40(Predicted)
• CAS DataBase Reference: 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one(763111-47-3)
• EPA Substance Registry System: 4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one(763111-47-3)

Safety Data

• Hazardous Substances Data: 763111-47-3(Hazardous Substances Data)

Usage

Uses

4-[[4-Fluoro-3-(1-piperazinylcarbonyl)phenyl]methyl]-1(2H)-phthalazinone is an intermediate used in the preparation of 4-benzyl-2H-phthalazin-1-ones that functions as PARP-1 and PARP-2 inhibitor.

Upstream product

• 16859-59-9 3-hydroxy-1(3H)-isobenzofuranone 
• 110-85-0 piperazine 
• 1062292-60-7 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one 
• 1021298-68-9 2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile 
• 763114-26-7 2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid 
• 142-64-3 piperazine dihydrochloride 
• 218301-22-5 2-fluoro-5-formylbenzonitrile 
• 763114-25-6 2-fluoro-5-(3-oxo-1,3-dihydroisobenzofuranylidene methyl)benzonitrile 
• 119-67-5 o-carboxybenzaldehyde 
• 61260-15-9 dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate 
• 70-18-8 GLUTATHIONE 
• 1431328-64-1 2,4-dinitrophenyl 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]-benzoyl]piperazine-1-yl-1-ium-1,2-diolate 
• 763114-04-1 tert-butyl 4-[2’-fluoro-5’-[(4’’-oxo-3’’H-phthalazin-1’’-yl)methyl]benzoyl]piperazine-1-carboxylate 

Downstream Products

• 763113-22-0 olaparib 

Relevant articles and documents

Novel synthesis method of olaparib bulk drug

The invention introduces a novel synthesis method of an antitumor drug, namely olaparib. According to the invention, a dimer impurity is effectively removed by an acid-base pouring method in virtue of the different chemical properties that the dimer impurity cannot form salt and a previous intermediate of olaparib can form salt, and the HPLC purity of the obtained finished product can reach 99.9%. According to a route in the invention, the yield of the olaparib finished product is effectively improved, the total yield of six steps reaches 42.4%, and the route has important significance on industrial production of olaparib.

PARP Inhibitor - alkylated bifunctional molecule and preparation method and application thereof

The invention discloses a potent polyadenine diphosphate ribose polymerase inhibitor (Poly ADP-Ribose Polymerase). PARP) The inhibitors - are alkylated bifunctional molecules and the present invention relates to compounds having the structure of Formula I, and also to pharmaceutically acceptable salts and solvates thereof. The preparation method comprises the following steps: condensation of 5 - [(3,4 -dihydro -4 - oxo -1 - phthalazinyl) methyl] -2 -fluorobenzoic acid and N-Boc - piperazine condensation and after-deprotection Boc groups and finally performing condensation connection with a mustard group to obtain the compound shown I. The invention further relates to a pharmaceutical composition containing the compound of the formula I and a pharmaceutical use thereof, and can be used for treating tumors and other targets PARP or DNA. .

Design, synthesis and biological evaluation of novel phthalazinone acridine derivatives as dual PARP and Topo inhibitors for potential anticancer agents

In this study, we designed and synthesized a series of phthalazinone acridine derivatives as dual PARP and Topo inhibitors. MTT assays indicated that most of the compounds significantly inhibited multiple cancer cells proliferation. In addition, all the compounds displayed Topo II inhibition activity at 10 mol/L, and also possessed good PARP-1 inhibitory activities. Subsequent mechanistic studies showed that compound 9a induced remarkable apoptosis and caused prominent S cell cycle arrest in HCT116 cells. Our study suggested that 9a inhibiting Topo and PARP concurrently can be a potential lead compound for cancer therapy.