107558-48-5

Basic information

• Product Name: 4-(4-PYRIDYLMETHYL)-1(2H)-PHTALAZINONE
• Synonyms: 4-(4-PYRIDYLMETHYL)-1(2H)-PHTALAZINONE;4-(4-PYRIDYLMETHYL)-1(2H)-PHTHALAZINONE;4-(PYRIDIN-4-YLMETHYL)PHTHALAZIN-1(2H)-ONE;4-PYRIDIN-4-YLMETHYL-2H-PHTHALAZIN-1-ONE;4-(4-PYRIDYLMETHYL)-1(2H)-PHTHALAZINONE, 95+%;4-(4-Pyridinylmethyl)-1(2H)-phthalazinone;4-Pyridin-4-yl-2H-phthalazin-1-one
• CAS NO: 107558-48-5
• Molecular Formula: C₁₄H₁₁N₃O
• Molecular Weight: 237.26
• Product Categories: Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 107558-48-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: 215-217℃
• Boiling Point: 538.4 °C at 760 mmHg
• Flash Point: 279.4 °C
• Appearance: /
• Density: 1.29 g/cm³
• Vapor Pressure: 3.32E-12mmHg at 25°C
• Refractive Index: 1.679
• Storage Temp.: -20°C Freezer
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 11.93±0.40(Predicted)
• CAS DataBase Reference: 4-(4-PYRIDYLMETHYL)-1(2H)-PHTALAZINONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-PYRIDYLMETHYL)-1(2H)-PHTALAZINONE(107558-48-5)
• EPA Substance Registry System: 4-(4-PYRIDYLMETHYL)-1(2H)-PHTALAZINONE(107558-48-5)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 107558-48-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H11N3O/c18-14-12-4-2-1-3-11(12)13(16-17-14)9-10-5-7-15-8-6-10/h1-8H,9H2,(H,17,18)

Upstream product

• 6587-24-2 methyl 2-cyanobenzoate 
• 54401-85-3 pyridin-4-yl-acetic acid ethyl ester 
• 84-66-2 Diethyl phthalate 
• 29800-89-3 methyl 4-pyridineacetate 
• 131-11-3 phthalic acid dimethyl ester 
• 13121-99-8 pyridin-4-ylacetonitrile 
• 91-15-6 phthalonitrile 
• 85-44-9 phthalic anhydride 
• 87-41-2 2-benzofuran-1(3H)-one 
• 67592-40-9 3-hydroxy-2-(pyridin-4-yl)-1H-inden-1-one 

Downstream Products

• 1242606-57-0 C₂₆H₂₅FN₆O 
• 1242606-77-4 C₂₆H₂₄Cl₂N₆O 
• 1242606-79-6 C₂₈H₃₀N₆O 
• 1242606-81-0 C₂₆H₂₅ClN₆O 
• 1242606-83-2 C₂₈H₃₀N₆O 
• 1242606-85-4 C₂₇H₂₇FN₆O 
• 1313222-83-1 C₂₈H₂₄F₆N₆O 
• 1313222-85-3 C₂₆H₂₅FN₆O 
• 1313222-86-4 C₂₇H₂₅F₃N₆O₂ 
• 1313222-87-5 C₂₆H₂₅ClN₆O 
• 1313222-88-6 C₂₇H₂₅F₃N₆O 
• 1313222-84-2 C₂₇H₂₈N₆O 

Relevant articles and documents

Simple preparation method of 4-substituted methyl-1-(2H)-phthalazinone

The invention provides a simple preparation method of 4-substituted methyl-1-(2H)-phthalazinone (I). According to the method, condensation is carried out on a two G substituted benzene (II) and a compound represented by a formula III in the presence of a solvent A and an alkali, a compound represented by a formula IV is obtained through hydrolysis, and then, condensation is carried out on the compound represented by the formula IV or an esterification product of the compound represented by the formula IV and hydrazine hydrate to prepare 4-(pyridin-4-yl)-methyl-1-(2H)-phthalazinone (IA) or 4-(4-fluoro-3-carboxyphenyl)methyl-1-(2H)-phthalazinone (IB) which can be used for preparing vatalanib and olaparib. The preparation method is simple and convenient in technological process, is high in reaction reproducibility, is easy to operate, and is good in product stability and high in purity.

Synthesis and antitumor activities of novel 1,4-substituted phthalazine derivatives

A series of 1,4-substituted phthalazine derivatives were designed and synthesized. All the prepared compounds were screened for their cytotoxic activities against A549, HT-29 and MDA-MB-231 cell lines in vitro. Among them, compounds 7a-7h showed excellent selectivity for MDA-MB-231 cell line with IC50 values from 1nmol/L to 0.92μmol/L. A preliminary SAR study of these derivatives was performed.

DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS

Described herein are compounds that include a diarylamine structural feature. Also described herein are methods for making such compounds, methods for using such compounds to modulate the activity of steroid hormone nuclear receptors, and pharmaceutical compositions and medicaments comprising such compounds. Also described herein are methods of using such compounds, pharmaceutical compositions and medicaments to treat and/or prevent diseases or conditions associated with the activity of steroid hormone nuclear receptors.