763111-49-5

Basic information

• Product Name: 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)Methyl]-2-fluorobenzoyl]hexahydro-1H-1,4-diazepine
• Synonyms: 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)Methyl]-2-fluorobenzoyl]hexahydro-1H-1,4-diazepine;4-[[4-fluoro-3-[(hexahydro-1H-1,4-diazepin-1-yl)carbonyl]phenyl]Methyl]-1(2H)-phthalazinone;KU 0058948;KU0058948;KU-0058948
• CAS NO: 763111-49-5
• Molecular Formula: C₂₁H₂₁FN₄O₂
• Molecular Weight: 380.4154432
• Product Categories: Apoptosis;Aromatics;Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 763111-49-5.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• Density: 1.36g/cm³
• Refractive Index: 1.667
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)Methyl]-2-fluorobenzoyl]hexahydro-1H-1,4-diazepine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)Methyl]-2-fluorobenzoyl]hexahydro-1H-1,4-diazepine(763111-49-5)
• EPA Substance Registry System: 1-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)Methyl]-2-fluorobenzoyl]hexahydro-1H-1,4-diazepine(763111-49-5)

Safety Data

• Hazardous Substances Data: 763111-49-5(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 763111-49-5 differently. You can refer to the following data:
1. KU-0058948 is a poly (ADP-ribose) polymerase (PARP) inhibitor. Studies show that KU-0058948 a potent agonist that activates transfected extracellular signal-regulated kinase 8 (ERK8) in cells. KU-0058948 induces cell cycle arrest and apoptosis of primary myeloid leukemic cells and myeloid leukemic cell lines in vitro
2. KU-0058948 is a poly (ADP-ribose) polymerase (PARP) inhibitor. Studies show that KU-0058948 is a potent agonist that activates transfected extracellular signal-regulated kinase 8 (ERK8) in cells. KU-0058948 induces cell cycle arrest and apoptosis of primary myeloid leukemic cells and myeloid leukemic cell lines in vitro

InChI:InChI=1/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)

Upstream product

• 763114-25-6 2-fluoro-5-(3-oxo-1,3-dihydroisobenzofuranylidene methyl)benzonitrile 
• 112275-50-0 tert-butyl 1,4-diazepine-1-carboxylate 
• 763114-26-7 2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid 
• 874116-49-1 tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepane-1-carboxylate 

Downstream Products

• 1070772-10-9 4-[[3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one 

Relevant articles and documents

METHODS FOR TREATING CANCERS HAVING BRCA2 AND PALB2 MUTATIONS

The present invention provides a method for treating or preventing cancer in a subject wherein the subject is identified as having a BRCA2-/- and/or PALB2-/- mutation comprising: a) obtaining a sample from a subject; b) analyzing the sample for the presence of a BRCA2-/- and/or PALB2-/- mutation; c) administering to the subject a therapeutically effective amount of an C1-C6 aldehyde or prodrug or derivative thereof when the analysis of the sample of b) indicates the subject has a BRCA2-/- and/or PALB2-/- mutation. In addition, the use of a pharmaceutical composition comprising a therapeutically effective amount of an C1-C6 aldehyde or prodrug or derivative thereof, and/or an aldehyde dehydrogenase inhibitor is also provided for treating cancer in a subject wherein the subject is identified as having a BRCA2 -/- and/or PALB2 -/- mutation. Also provided herein is an isolated human adenocarcinoma cell line genetically modified to have a biallelic disruption of the PALB2 gene, and methods for identifying a compound or small molecule that modulates a function of a cancer cell or population of cells genetically modified to have a biallelic disruption of the PALB2 gene are also provided.

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.

PHTHALAZINONE DERIVATIVES

Compounds of the formula (I): wherein A and B together represent an optionally substituted, fused aromatic ring; X can be NRX or CRXRY; if X NRX then n is 1 or 2 and if X = CRXRY then n is 1; RX is selected from the group consisting of H, optionally substituted C1-20 alkyl, C5-20 aryl, C3-20 heterocyclyl, amido, thioamido, ester, acyl, and sulfonyl groups; RY is selected from H, hydroxy, amino; or RX and RY may together form a spiro-C3-7 cycloalkyl or heterocyclyl group; RC1 and RC2 are both hydrogen, or when X is CRX RY, RC1, RC2, RX and RY, together with the carbon atoms to which they are attached, may form an optionally substituted fused aromatic ring; and R1 is selected from H and halo.