420846-72-6

Basic information

• Product Name: 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
• Synonyms: 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid;Benzoic acid, 3-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-;3-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]benzoic acid;3-[(4-Oxo-3,4-dihydro-1-phthalazinyl)methyl]benzoic acid;Olaparib Impurity 14
• CAS NO: 420846-72-6
• Molecular Formula: C₁₆H₁₂N₂O₃
• Molecular Weight: 280.27808
• Mol File: 420846-72-6.mol
• Article Data: 7

Chemical Properties

• Appearance: /
• Density: 1.36±0.1 g/cm3(Predicted)
• PKA: 4.12±0.10(Predicted)
• CAS DataBase Reference: 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid(420846-72-6)
• EPA Substance Registry System: 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid(420846-72-6)

Safety Data

• Hazardous Substances Data: 420846-72-6(Hazardous Substances Data)

Usage

General Description

The chemical compound 3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid, also known as Phthalazinone, is a heterocyclic compound with potential pharmaceutical applications. It contains a phthalazinone core structure with a benzoic acid functional group and a methyl group attached to the phthalazinone ring. 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid may be used in the synthesis of pharmaceuticals and other organic compounds due to its structural and functional properties. Further research and development of this compound may lead to its application in the medical and pharmaceutical industries.

Upstream product

• 87-41-2 2-benzofuran-1(3H)-one 
• 24964-64-5 3-Cyanobenzaldehyde 
• 105-37-3 Ethyl propionate 
• 763114-22-3 3-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)phenyl cyanide 
• 119-67-5 o-carboxybenzaldehyde 
• 61260-15-9 dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate 
• 763114-23-4 3-(1,3-dioxoindan-2-yl)benzoic acid 
• 763114-24-5 2-[2-(3-carboxyphenyl)acetyl]benzoic acid 

Downstream Products

• 763113-99-1 1-[3-(4-oxo-3,4-dihydro-phthalazin-1-ylmethyl)-benzoyl]-piperidine-4-carboxylic acid ethyl ester 
• 763114-27-8 1-[3-(4-oxo-3,4-dihydrophthalazin-l-ylmethyl)benzoyl]piperidine-4-carboxylic acid 
• 763111-46-2 4-[[3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one 
• 1070772-18-7 4-[[3-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one 
• 1070772-17-6 4-[[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one 
• 1070772-14-3 4-[[3-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one 
• 848136-81-2 4-[[3-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one 
• 1070772-12-1 4-[[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one 
• 1431328-63-0 2,4-dinitrophenyl 4-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]-benzoyl]piperazine-1-yl-1-ium-1,2-diolate 
• 26289-39-4 S-(2,4-dinitrophenyl)glutathione 
• 1174043-69-6 4-(3-(4-(cyclopentyloxy)piperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one 
• 1174043-44-7 C₂₄H₂₇N₃O₃ 
• 1174043-73-2 4-(3-(4-ethoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one 
• 1174043-74-3 4-(3-(4-methoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one 

Relevant articles and documents

RADIOLABELLED COMPOUND

The present invention relates to radiolabelled olaparib and in particular [ 18 F]olaparib, a process for producing radiolabelled olaparib, and uses of radiolabelled olaparib in medical imaging.

Heterocycle and imidazole compounds, pharmaceutical composition comprising heterocycle and imidazole derivatives as well as preparation method and application of heterocycle and imidazole compounds

The invention relates to heterocycle and imidazole derivatives as well as a preparation method and a pharmaceutical application of heterocycle and imidazole derivatives, in particular to novel heterocycle and imidazole derivatives as shown in the general formula (I), a preparation method of the heterocycle and imidazole derivatives, pharmaceutical composition comprising the heterocycle and imidazole derivatives as well as an application of the heterocycle and imidazole derivatives as a therapeutic agent and particularly as a PARP (poly (ADP-ribose) polymerase) inhibitor.

Phthalazinones 2: Optimisation and synthesis of novel potent inhibitors of poly(ADP-ribose)polymerase

We have previously described the discovery of poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors based on a phthalazinone scaffold. Subsequent optimisation of inhibitory activity, metabolic stability and pharmacokinetic parameters has led to a novel series of meta-substituted 4-benzyl-2H-phthalazin-1-one PARP-1 inhibitors which retain low nM cellular activity and show good stability in vivo and efficacy in cell based models.