245450-04-8

Basic information

• Product Name: 4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
• Synonyms: 4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER;1-Boc-4-(6-amino-5-nitro-4-pyrimidinyl)piperazine;tert-Butyl 4-(6-amino-5-nitropyrimidin-4-yl)piperazine-1-carboxylate
• CAS NO: 245450-04-8
• Molecular Formula: C₁₃H₂₀N₆O₄
• Molecular Weight: 324.34
• Mol File: 245450-04-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 533.6°C at 760 mmHg
• Flash Point: 276.5°C
• Appearance: /
• Density: 1.348g/cm³
• Vapor Pressure: 1.83E-11mmHg at 25°C
• Refractive Index: 1.595
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER(245450-04-8)
• EPA Substance Registry System: 4-(6-AMINO-5-NITRO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER(245450-04-8)

Safety Data

• Hazardous Substances Data: 245450-04-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H20N6O4/c1-13(2,3)23-12(20)18-6-4-17(5-7-18)11-9(19(21)22)10(14)15-8-16-11/h8H,4-7H2,1-3H3,(H2,14,15,16)

Upstream product

• 4316-94-3 6-chloro-5-nitropyrimidin-4-amine 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 4316-93-2 4,6-dichloro-5-nitropyrimidine 

Downstream Products

• 121370-56-7 4-(9H-purine-6-yl)piperazine-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

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.

Nitrogenous heterocyclic compounds

The present invention relates to nitrogen-containing heterocyclic compounds represented by formula (I): STR1wherein W represents 1,4-piperazinediyl, etc.; U represents NR 1 R 2 (wherein R 1 represents a hydrogen atom, a substituted or unsubstituted alkyl group, etc.; and R 2 represents a hydrogen atom, etc. ), OR 4, or SR 5 ; V represents an oxygen atom, a sulfur atom, N--R 6, or CR 7 R 8, at least one of X, Y and Z represents a nitrogen atom, and the others are the same or different, and each represents a nitrogen atom or C--R A ; and D 1, D 2, D 3 and D 4 each independently represent C--R B, a nitrogen atom, an oxygen atom, a sulfur atom, etc., optional adjoining two among D 1 to D 4 are combined to represent a nitrogen atom, N--R 2A, an oxygen atom, a sulfur atom, etc., or optional adjoining two selected from D 1 to D 4 represent C--R B"" (wherein two R B"" s are combined to represent substituted or unsubstituted alicyclic alkene, substituted or unsubstituted pyrrole, substituted or unsubstituted pyrazole, etc.; or pharmaceutically acceptable salts thereof.