414910-15-9

Basic information

• Product Name: tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate
• Synonyms: tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate;tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate;4-(cyclopropylcarbonyl)-1-Piperazinecarboxylic acid 1,1-dimethylethyl ester;4-Cyclopropanoylpiperazine-1-carboxylic acid tert-butyl ester;tert-Butyl 4-(cyclopropanecarbonyl)
• CAS NO: 414910-15-9
• Molecular Formula: C₁₃H₂₂N₂O₃
• Molecular Weight: 254.32538
• Mol File: 414910-15-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 388.4±35.0 °C(Predicted)
• Appearance: /
• Density: 1.175±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -0.25±0.70(Predicted)
• CAS DataBase Reference: tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate(414910-15-9)
• EPA Substance Registry System: tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate(414910-15-9)

Safety Data

• Hazardous Substances Data: 414910-15-9(Hazardous Substances Data)

Usage

Description

tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate is an organic compound that serves as a reagent in various chemical processes and organic synthesis. It is particularly utilized in the preparation of propanoyl-quinazolinone scaffold-based novel PARP1 inhibitors, which are significant in the field of pharmaceuticals and medicinal chemistry.

Uses

Used in Pharmaceutical Industry:
tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate is used as a reagent for the synthesis of propanoyl-quinazolinone scaffold-based novel PARP1 inhibitors. These inhibitors play a crucial role in the development of potential therapeutic agents for various diseases, including cancer.
Used in Chemical Synthesis:
In the field of chemical synthesis, tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate is employed as a valuable reagent. Its unique structure and functional groups enable it to participate in various chemical reactions, contributing to the creation of a wide range of compounds with diverse applications.

Upstream product

• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 1759-53-1 cyclopropanecarboxylic acid 
• 4023-34-1 cyclopropanecarboxylic acid chloride 

Downstream Products

• 373608-50-5 4-cyclopropylmethylpiperazine-1-carboxylic acid tert-butyl ester 
• 1207454-34-9 (E)-4-(4-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)benzylideneamino)isobenzofuran-1(3H)-one 
• 1207454-33-8 methyl 2-(4-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)phenyl)-4-oxo-3-phenyl-1,2,3,4-tetrahydroquinoline-5-carboxylate 
• 1207453-37-9 3-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)benzaldehyde 
• 1207453-36-8 methyl 3-(3-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)phenyl)-4-oxo-2-phenyl-1,2,3,4-tetrahydroquinoline-5-carboxylate 
• 1207453-34-6 methyl 3-(4-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)phenyl)-4-oxo-2-phenyl-1,2,3,4-tetrahydroquinoline-5-carboxylate 
• 1207453-21-1 4-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)benzaldehyde 
• 1207454-32-7 8-(4-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)phenyl)-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one 
• 1207453-35-7 9-(3-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)phenyl)-8-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one 
• 1207453-33-5 9-(4-(4-(cyclopropanecarbonyl)piperazine-1-carbonyl)phenyl)-8-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one 
• 59878-57-8 1-(cyclopropylcarbonyl)piperazine 

Relevant articles and documents

Benzofuran derivative as well as preparation method and medical application thereof

The invention relates to benzofuran derivatives, and a preparation method and medical application thereof. Specifically, the present invention relates to a new benzofuran derivative represented by general formula (I), a preparation method thereof, a pharmaceutical composition containing the derivative, and application of the composition as a therapeutic agent, especially as a PAR-4 antagonist, wherein each substituent of general formula (I) is as defined in the specification.

Novel PARP-1 inhibitors based on a 2-propanoyl-3H-quinazolin-4-one scaffold

Poly(ADP-ribose)polymerase-I (PARP-1) enzyme is involved in maintaining DNA integrity and programmed cell death. A virtual screening of commercial libraries led to the identification of five novel scaffolds with inhibitory profile in the low nanomolar range. A hit-to-lead optimization led to the identification of a group of new potent PARP-1 inhibitors, acyl- piperazinylamides of 3-(4-oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid. Molecular modeling studies highlighted the preponderant role of the propanoyl side chain.

METHODS OF USING DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY (ADP-RIBOSE)POLYMERASE (PARP)

Provided herein are methods of treating cancer comprising administering a topoisomerase inhibitor, temozolomide, or a platin in combination with a Compound of Formula (I) or Formula (II), where the substituents Y, Z, A, B, R1, R2, R3, R4 and R5 are as defined herein.