62458-96-2

Basic information

• Product Name: 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE
• Synonyms: 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE;7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one;7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one;5,6,7,8-Tetrahydro-7-(phenylmethyl)pyrido[3,4-d]pyrimidin-4(4aH)-one;4-d]pyriMidin-4(4aH)-one;7-benzyl-5;7-benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyriMidin-4-ol;7-benzyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyriMidin-4-one
• CAS NO: 62458-96-2
• Molecular Formula: C₁₄H₁₅N₃O
• Molecular Weight: 277.75
• Product Categories: CHIRAL CHEMICALS;MFCD08458225 oldold;1053656-41-9 oldold
• Mol File: 62458-96-2.mol
• Article Data: 10

Chemical Properties

• Melting Point: 198 °C
• Boiling Point: 410.1 °C at 760 mmHg
• Flash Point: 201.8 °C
• Appearance: /
• Density: 1.27
• Vapor Pressure: 2.61E-07mmHg at 25°C
• Refractive Index: 1.662
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 7.77±0.20(Predicted)
• CAS DataBase Reference: 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE(62458-96-2)
• EPA Substance Registry System: 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE(62458-96-2)

Safety Data

• Hazardous Substances Data: 62458-96-2(Hazardous Substances Data)

Usage

General Description

7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE is a chemical compound with potential pharmaceutical applications. It is a hydrochloride salt form of a pyrido-pyrimidinone derivative, which has been studied for its potential as a therapeutic agent for various medical conditions. 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE may exhibit biological activity as a modulator of neurotransmitter receptors in the central nervous system, and may have potential applications in the treatment of neurological disorders or psychiatric conditions. Its precise mechanism of action and specific pharmacological properties are still under investigation, but it holds promise as a candidate for further pharmaceutical development and research.

InChI:InChI=1/C14H15N3O/c18-14-12-6-7-17(9-13(12)15-10-16-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,15,16,18)

Upstream product

• 3473-63-0 formamidine acetic acid 
• 1454-53-1 ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride 
• 618-32-6 Benzoyl bromide 
• 70637-75-1 ethyl 3-oxopiperidine-4-carboxylate 
• 63876-32-4 4-[benzyl(ethoxycarbonylmethyl)amino]butyric acid ethyl ester 
• 6436-90-4 ethyl 2-(benzylamino)acetate 
• 100-46-9 benzylamine 
• 52763-21-0 ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride 
• 39514-19-7 ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate 
• 463-52-5 formamidine 

Downstream Products

• 192869-80-0 7-Benzyl-4-chloro-5,6,7,8-tetrahydro-1,3,7-triazanaphthalene 
• 69981-00-6 7-benzyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one 
• 859826-41-8 C₇H₉N₃O 
• 1142188-60-0 4-hydroxy-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester 
• 1053656-57-7 4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester 

Relevant articles and documents

New P2X3 receptor antagonists. Part 2: Identification and SAR of quinazolinones

Numerous potent P2X3 antagonists have been discovered and the therapeutic potential of P2X3 antagonism already comprises proof-of-concept data obtained in clinical trials with the most advanced compound. We have lately reported the discovery and optimization of thia-triaza-tricycle compounds with potent P2X3 antagonistic properties. This Letter describes the SAR of a back-up series containing a 4-oxo-quinazoline central ring. The discovery of the highly potent compounds 51 is presented.

Inhibitors of HIV-1 attachment: The discovery and structure-activity relationships of tetrahydroisoquinolines as replacements for the piperazine benzamide in the 3-glyoxylyl 6-azaindole pharmacophore

6,6-Fused ring systems including tetrahydroisoquinolines and tetrahydropyrido[3,4-d]pyrimidines have been explored as possible replacements for the piperazine benzamide portion of the HIV-1 attachment inhibitor BMS-663068. In initial studies, the tetrahydroisoquinoline compounds demonstrate sub-nanomolar activity in a HIV-1 pseudotype viral infection assay used as the initial screen for inhibitory activity. Analysis of SARs and approaches to optimization for an improved drug-like profile are examined herein.

Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrimido-[4,5-d]azepines as novel TRPV1 antagonists

Utilization of a tetrahydro-pyrimdoazepine core as a bioisosteric replacement for a piperazine-urea resulted in the discovery a novel series of potent antagonists of TRPV1. The tetrahydro-pyrimdoazepines have been identified as having good in vitro and in