62459-02-3

Basic information

• Product Name: 7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE
• Synonyms: 7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE;3H)-dione;7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyriMidine-2,4-diol;7-benzyl-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyriMidine-2,4-dione;rido[3,4-d]pyriMidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-7-(phenylMethyl)-;7-benzyl-1,5,6,8-tetrahydropyrido[4,3-e]pyrimidine-2,4-dione
• CAS NO: 62459-02-3
• Molecular Formula: C₁₄H₁₅N₃O₂
• Molecular Weight: 257.292
• EINECS: 1533716-785-6
• Product Categories: pyrimidine;Heterocycle-Pyrimidine series
• Mol File: 62459-02-3.mol
• Article Data: 12

Chemical Properties

• Melting Point: 232 °C(Solv: acetone (67-64-1))
• Appearance: /
• Density: 1.33 g/cm³
• Refractive Index: 1.652
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 10.00±0.20(Predicted)
• CAS DataBase Reference: 7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE(62459-02-3)
• EPA Substance Registry System: 7-BENZYL-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE(62459-02-3)

Safety Data

• Hazardous Substances Data: 62459-02-3(Hazardous Substances Data)

Usage

General Description

7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione is a chemical compound that belongs to the class of pyridopyrimidine derivatives. It is a heterocyclic compound containing a pyrido[3,4-d]pyrimidine ring system with a benzyl group attached to the 7th position. 7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione has potential biological activities and may be used in medicinal chemistry for the development of novel drugs. Its chemical structure and properties make it a promising candidate for further research and potential applications in the pharmaceutical industry.

InChI:InChI=1/C14H15N3O2/c18-13-11-6-7-17(8-10-4-2-1-3-5-10)9-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)

Upstream product

• 39514-19-7 ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate 
• 57-13-6 urea 
• 52763-21-0 ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride 

Downstream Products

• 635698-41-8 7-benzyl-4-(2,4-dichlorobenzylamino)-2-(4-toluenesulfonyloxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine 
• 1000578-08-4 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine 
• 916420-27-4 2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid tert-butyl ester 
• 1542711-27-2 C₁₉H₂₃ClN₄O₂ 
• 1542708-91-7 C₂₈H₃₁N₅O₂ 
• 1542704-41-5 N-benzyl-2-(2-methyl-1H-indol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine 
• 1542711-32-9 C₁₉H₂₁ClN₄O₃ 
• 1542711-33-0 C₂₅H₂₈N₆O₃ 
• 1542711-38-5 C₂₀H₂₀N₆O 
• 1542710-71-3 4-(benzylamino)-2-(2-methoxy-1H-benzo[d]imidazol-1-yl)-6,7-dihydropyrido[3,4-d]pyrimidin-8(5H)-one 
• 1542704-60-8 1-(4-(benzylamino)-2-(2-methyl-1H-indol-1-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)ethanone 

Relevant articles and documents

PARP/PI3K DOUBLE-TARGET INHIBITOR CONTAINING PYRIDOPYRIMIDINE STRUCTURE

The present disclosure relates to the field of pharmaceutical chemistry, in particular to a class of PARP/PI3K double-target inhibitors (I) containing structures of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine and phthalazin-1(2H)-one and a preparation metho

Kras-G12C inhibitor heterocyclic compounds

The invention relates to Kras-G12C inhibitor heterocyclic compounds represented by formula I, a preparation method thereof, and application of the Kras-G12C inhibitor heterocyclic compounds in prevention and treatment of tumor diseases such as lung cancer, colorectal cancer and pancreatic cancer. In the preparation process, the compounds of the general formula I are obtained through a series of reactions such as SN2 reaction, protection, coupling reaction, deprotection, condensation reaction and the like.

Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer

Capping off an era marred by drug development failures and punctuated by waning interest and presumed intractability toward direct targeting of KRAS, new technologies and strategies are aiding in the target's resurgence. As previously reported, the tetrahydropyridopyrimidines were identified as irreversible covalent inhibitors of KRASG12C that bind in the switch-II pocket of KRAS and make a covalent bond to cysteine 12. Using structure-based drug design in conjunction with a focused in vitro absorption, distribution, metabolism and excretion screening approach, analogues were synthesized to increase the potency and reduce metabolic liabilities of this series. The discovery of the clinical development candidate MRTX849 as a potent, selective covalent inhibitor of KRASG12C is described.