874116-49-1

Basic information

• Product Name: N-tert-ButyloxycarbonylaMino KU-0058948
• Synonyms: N-tert-ButyloxycarbonylaMino KU-0058948
• CAS NO: 874116-49-1
• Molecular Formula: C₂₆H₂₉FN₄O₄
• Molecular Weight: 480.5312632
• Product Categories: Apoptosis, Aromatics, Heterocycles, Inhibitors, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 874116-49-1.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• Solubility: Chloroform, Dichloromethane
• CAS DataBase Reference: N-tert-ButyloxycarbonylaMino KU-0058948(CAS DataBase Reference)
• NIST Chemistry Reference: N-tert-ButyloxycarbonylaMino KU-0058948(874116-49-1)
• EPA Substance Registry System: N-tert-ButyloxycarbonylaMino KU-0058948(874116-49-1)

Safety Data

• Hazardous Substances Data: 874116-49-1(Hazardous Substances Data)

Usage

Uses

Protected KU-0058948 (K660400), a poly (ADP-ribose) polymerase (PARP) inhibitor.

Upstream product

• 763114-26-7 2-fluoro-5-[(4’-oxo-3’H-phthalazin-1’-yl)methyl]benzoic acid 
• 112275-50-0 tert-butyl 1,4-diazepine-1-carboxylate 
• 119-67-5 o-carboxybenzaldehyde 
• 218301-22-5 2-fluoro-5-formylbenzonitrile 
• 77771-02-9 3-bromo-4-fluorobenzaldehyde 
• 61260-15-9 dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate 
• 763114-25-6 2-fluoro-5-(3-oxo-1,3-dihydroisobenzofuranylidene methyl)benzonitrile 
• 1021298-68-9 2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile 

Downstream Products

• 763111-49-5 4-[[4-fluoro-3-[(hexahydro-1H-1,4-diazepin-1-yl)carbonyl]phenyl]methyl]-1(2H)-phthalazinone 
• 1379676-60-4 1-cyclopropyl-2-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepan-1-yl) ethane-1,2-dione 
• 1379676-65-9 1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1 -yl)methyl)benzoyl)-1 ,4-diazepan-1-yl)-3,3-dimethylbutane-1,2-dione 
• 1379676-66-0 1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepan-1-yl)-2-phenylethane-1,2-dione 
• 1379676-67-1 1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepan-1-yl)-2-(furan-2-yl)ethane-1,2-dione 
• 1379676-75-1 1-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)-1,4-diazepan-1-yl)propane-1,2-dione 

Relevant articles and documents

HETEROCYCLIC DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF

Disclosed are heterocyclic derivatives, methods for making them, compositions containing the same and uses thereof. Particularly, their pharmaceutical use as inhibitors of PARP is disclosed.

4-[3-(4-Cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl] -2H-phthalazin-1-one: A novel bioavailable inhibitor of poly(ADP-ribose) polymerase-1

Poly(ADP-ribose) polymerase activation is an immediate cellular response to metabolic-, chemical-, or ionizing radiation-induced DNA damage and represents a new target for cancer therapy. In this article, we disclose a novel series of substituted 4-benzyl-2H-phthalazin-1-ones that possess high inhibitory enzyme and cellular potency for both PARP-1 and PARP-2. Optimized compounds from the series also demonstrate good pharmacokinetic profiles, oral bioavailability, and activity in vivo in an SW620 colorectal cancer xenograft model. 4-[3-(4-Cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl] -2H-phthalazin-1-one (KU-0059436, AZD2281) 47 is a single digit nanomolar inhibitor of both PARP-1 and PARP-2 that shows standalone activity against BRCA1-deficient breast cancer cell lines. Compound 47 is currently undergoing clinical development for the treatment of BRCA1- and BRCA2-defective cancers.