946161-16-6

Basic information

• Product Name: methyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)(propan-2-yl)amino]butanoate
• CAS NO: 946161-16-6
• Molecular Weight: 316.744
• Mol File: 946161-16-6.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: methyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)(propan-2-yl)amino]butanoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)(propan-2-yl)amino]butanoate(946161-16-6)
• EPA Substance Registry System: methyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)(propan-2-yl)amino]butanoate(946161-16-6)

Safety Data

• Hazardous Substances Data: 946161-16-6(Hazardous Substances Data)

Usage

General Description

Methyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)(propan-2-yl)amino]butanoate is a chemical compound with the molecular formula C13H18ClN3O4. It is a nitrogen-containing ester with a nitro and chloro substitution on the pyrimidine ring. methyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)(propan-2-yl)amino]butanoate is used primarily in the research and development of pharmaceuticals and agricultural chemicals. Its structure and properties make it a valuable building block for the synthesis of various biologically active compounds, particularly in the field of medicinal chemistry. Additionally, its potential applications in the field of agrochemicals make it an important intermediate for the development of new pesticides and herbicides.

Upstream product

• 74645-03-7 (R)-2-Aminobuttersaeure-methylester 
• 947667-22-3 Methyl (2R)-2-(isopropylamino) butanoate 
• 49845-33-2 2,4-Dichloro-5-nitropyrimidine 
• 947586-41-6 methyl (2R)-2-(propan-2-ylamino)butanoate hydrochloride 

Downstream Products

• 1214265-78-7 (R)-4-(7-cyano-6-ethyl-5-isopropyl-5,6-dihydroimidazo[1,5-f]pteridin-3-ylamino)-3-methoxybenzoic acid 
• 1214265-80-1 (R)-4-(7-cyano-6-ethyl-5-isopropyl-5,6-dihydroimidazo[1,5-f]pteridin-3-ylamino)-2-fluoro-5-methoxybenzoic acid 
• 877676-50-1 2-chloro-7-ethyl-7,8-dihydro-5-methyl-8-(1-methylethyl)-(7R)-6(5H)-pteridinone 
• 1333493-13-2 BI2536 
• 889877-77-4 (7R)-2-chloro-7-ethyl-8-(propan-2-yl)-7,8-dihydropteridin-6(5H)-one 

Relevant articles and documents

Structure-Guided Design and Development of Potent and Selective Dual Bromodomain 4 (BRD4)/Polo-like Kinase 1 (PLK1) Inhibitors

The simultaneous inhibition of polo-like kinase 1 (PLK1) and BRD4 bromodomain by a single molecule could lead to the development of an effective therapeutic strategy for a variety of diseases in which PLK1 and BRD4 are implicated. Compound 23 has been found to be a potent dual kinase-bromodomain inhibitor (BRD4-BD1 IC50 = 28 nM, PLK1 IC50 = 40 nM). Compound 6 was found to be the most selective PLK1 inhibitor over BRD4 in our series (BRD4-BD1 IC50 = 2579 nM, PLK1 IC50 = 9.9 nM). Molecular docking studies with 23 and BRD4-BD1/PLK1 as well as with 6 corroborate the biochemical assay results.

Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors

Using structure-based drug design, we identified a novel series of 5,6-dihydroimidazolo[1,5-f]pteridine PLK1 inhibitors. Rational improvements to compounds of this class resulted in single-digit nanomolar enzyme and cellular activity against PLK1, and oral bioavailability. Compound 1 exhibits >7 fold induction of phosphorylated Histone H3 and is efficacious in an in vivo HT-29 tumor xenograft model.

DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF

Dihydroperidinone derivatives, preparation process and pharmaceutical use thereof are disclosed. Specially, new dihydroperidinone derivatives represented by general formula (I), wherein each substituent of the general formula (I) is defined as in the description, their preparation process, pharmaceutical compositions comprising said derivatives and their use as therapeutical agents, especially as Plk kinase inhibitors are disclosed.