763114-04-1

Basic information

• Product Name: tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoyl)piperazine-1-carboxylate
• Synonyms: tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoyl)piperazine-1-carboxylate;tert-butyl 4-[2'-fluoro-5'-[(4''-oxo-3'H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carboxylate
• CAS NO: 763114-04-1
• Molecular Formula: C₂₅H₂₇FN₄O₄
• Molecular Weight: 466.5046832
• Mol File: 763114-04-1.mol
• Article Data: 16

Chemical Properties

• Appearance: /
• CAS DataBase Reference: tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoyl)piperazine-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoyl)piperazine-1-carboxylate(763114-04-1)
• EPA Substance Registry System: tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoyl)piperazine-1-carboxylate(763114-04-1)

Safety Data

• Hazardous Substances Data: 763114-04-1(Hazardous Substances Data)

Usage

Uses

tert-Butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate 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

• 24424-99-5 di-tert-butyl dicarbonate 
• 1062292-60-7 4-(3-bromo-4-fluorobenzyl)phthalazin-1(2H)-one 
• 201230-82-2 carbon monoxide 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 763114-26-7 2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid 
• 1021298-68-9 2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile 
• 763114-25-6 2-fluoro-5-(3-oxo-1,3-dihydroisobenzofuranylidene methyl)benzonitrile 
• 61260-15-9 dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate 
• 77771-02-9 3-bromo-4-fluorobenzaldehyde 
• 218301-22-5 2-fluoro-5-formylbenzonitrile 
• 119-67-5 o-carboxybenzaldehyde 

Downstream Products

• 763111-47-3 4-[4’’-fluoro-3’’-(piperazine-1’’’-carbonyl)benzyl]-2H-phthalazin-1-one 
• 1379676-53-5 1-cyclopropyl-2-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)ethane-1,2-dione 
• 1379676-62-6 1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)-2-phenylethane-1,2-dione 
• 1379676-64-8 1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)-3,3-dimethylbutane-1,2-dione 
• 1379676-69-3 1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)-2-(furan-2-yl)ethane-1,2-dione 
• 1379676-73-9 1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)propane-1,2-dione 
• 763113-22-0 olaparib 

Relevant articles and documents

A Nickel(II)-Mediated Thiocarbonylation Strategy for Carbon Isotope Labeling of Aliphatic Carboxamides

A series of pharmaceutically relevant small molecules and biopharmaceuticals bearing aliphatic carboxamides have been successfully labeled with carbon-13. Key to the success of this novel carbon isotope labeling technique is the observation that 13C-labeled NiII-acyl complexes, formed from a 13CO insertion step with NiII-alkyl intermediates, rapidly react in less than one minute with 2,2’-dipyridyl disulfide to quantitatively form the corresponding 2-pyridyl thioesters. Either the use of 13C-SilaCOgen or 13C-COgen allows for the stoichiometric addition of isotopically labeled carbon monoxide. Subsequent one-pot acylation of a series of structurally diverse amines provides the desired 13C-labeled carboxamides in good yields. A single electron transfer pathway is proposed between the NiII-acyl complexes and the disulfide providing a reactive NiIII-acyl sulfide intermediate, which rapidly undergoes reductive elimination to the desired thioester. By further optimization of the reaction parameters, reaction times down to only 11 min were identified, opening up the possibility of exploring this chemistry for carbon-11 isotope labeling. Finally, this isotope labeling strategy could be adapted to the synthesis of 13C-labeled liraglutide and insulin degludec, representing two antidiabetic drugs.

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.