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7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE is a hydrochloride salt form of a pyrido-pyrimidinone derivative, a chemical compound with potential pharmaceutical applications. It has been studied for its potential as a therapeutic agent for various medical conditions, particularly in the modulation of neurotransmitter receptors in the central nervous system. 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE holds promise for further pharmaceutical development and research, with its precise mechanism of action and specific pharmacological properties still under investigation.

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  • Pyrido[3,4-d]pyrimidin-4(3H)-one,5,6,7,8-tetrahydro-7-(phenylmethyl)-

    Cas No: 62458-96-2

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  • 62458-96-2 Structure
  • Basic information

    1. Product Name: 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE
    2. 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
    3. CAS NO:62458-96-2
    4. Molecular Formula: C14H15N3O
    5. Molecular Weight: 277.75
    6. EINECS: N/A
    7. Product Categories: CHIRAL CHEMICALS;MFCD08458225 oldold;1053656-41-9 oldold
    8. Mol File: 62458-96-2.mol
  • Chemical Properties

    1. Melting Point: 198 °C
    2. Boiling Point: 410.1 °C at 760 mmHg
    3. Flash Point: 201.8 °C
    4. Appearance: /
    5. Density: 1.27
    6. Vapor Pressure: 2.61E-07mmHg at 25°C
    7. Refractive Index: 1.662
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 7.77±0.20(Predicted)
    11. CAS DataBase Reference: 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE(62458-96-2)
    13. 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

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 62458-96-2(Hazardous Substances Data)

62458-96-2 Usage

Uses

Used in Pharmaceutical Development:
7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE is used as a candidate for pharmaceutical development for its potential therapeutic applications in treating various medical conditions.
Used in Neurological Disorders Treatment:
In the Pharmaceutical Industry, 7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE is used as a potential treatment for neurological disorders or psychiatric conditions due to its potential to modulate neurotransmitter receptors in the central nervous system.
Used in Research:
7-BENZYL-5,6,7,8-TETRAHYDRO-3H-PYRIDO[3,4-D]PYRIMIDIN-4-ONE HYDROCHLORIDE is used as a subject of research to further investigate its mechanism of action and specific pharmacological properties, aiming to enhance its potential as a therapeutic agent.

Check Digit Verification of cas no

The CAS Registry Mumber 62458-96-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,2,4,5 and 8 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 62458-96:
(7*6)+(6*2)+(5*4)+(4*5)+(3*8)+(2*9)+(1*6)=142
142 % 10 = 2
So 62458-96-2 is a valid CAS Registry Number.
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)

62458-96-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one

1.2 Other means of identification

Product number -
Other names 7-benzyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:62458-96-2 SDS

62458-96-2Relevant articles and documents

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

Szántó, Gábor,Makó, Attila,Vágó, István,Hergert, Tamás,Bata, Imre,Farkas, Bence,Kolok, Sándor,Vastag, Mónika

, p. 3905 - 3912 (2016/08/01)

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.

ANTI-ANGIOGENESIS COMPOUND, INTERMEDIATE AND USE THEREOF

-

, (2016/04/10)

Disclosed are an anti-abnormal proliferation of angiogenesis compound represented by formula I, use and intermediate thereof. The compound has good effect against abnormal proliferation of angiogenesis, and the activity of the compound is produced by inhibiting VEGFR2. The compound can be used for treating diseases, such as wet macular degeneration, inflammation, malignant tumor and the like, caused by abnormity of angiogenesis and protein kinases such as VEGFR2, FGFR2 and the like.

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

Swidorski, Jacob J.,Liu, Zheng,Yin, Zhiwei,Wang, Tao,Carini, David J.,Rahematpura, Sandhya,Zheng, Ming,Johnson, Kim,Zhang, Sharon,Lin, Pin-Fang,Parker, Dawn D.,Li, Wenying,Meanwell, Nicholas A.,Hamann, Lawrence G.,Regueiro-Ren, Alicia

supporting information, p. 160 - 167 (2015/12/18)

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.

ANTI-ANGIOGENESIS COMPOUND, INTERMEDIATE AND USE THEREOF

-

, (2016/11/02)

Disclosed are an anti-abnormal proliferation of angiogenesis compound represented by formula I, use and intermediate thereof. The compound has good effect against abnormal proliferation of angiogenesis, and the activity of the compound is produced by inhibiting VEGFR2. The compound can be used for treating diseases, such as wet macular degeneration, inflammation, malignant tumor and the like, caused by abnormity of angiogenesis and protein kinases such as VEGFR2, FGFR2 and the like.

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

Hawryluk, Natalie A.,Merit, Jeffrey E.,Lebsack, Alec D.,Branstetter, Bryan J.,Hack, Michael D.,Swanson, Nadia,Ao, Hong,Maher, Michael P.,Bhattacharya, Anindya,Wang, Qi,Freedman, Jamie M.,Scott, Brian P.,Wickenden, Alan D.,Chaplan, Sandra R.,Breitenbucher, J. Guy

scheme or table, p. 7137 - 7141 (2010/12/25)

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

DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS

-

Page/Page column 67, (2010/01/30)

Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, diketopiperidine derivatives that possess unique antiviral activity are provided. These compounds are useful for the treatment of HIV and AIDS.

HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS

-

Page/Page column 45, (2008/12/08)

A compound of Formula (I) and enantiomers, diastereomers and pharmaceutically-acceptable salts thereof. Also disclosed are pharmaceutical compositions containing compounds of Formula I, and methods of treating conditions associated with the activity of p3

TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES

-

Page/Page column 39, (2008/06/13)

Tetrahydropyrido[3,4-d]pyrimidines and related analogues are provided, of the formula (I) in which variables are as described herein, as are methods for their preparation and use. Such compounds may generally be used to modulate ligand binding to histamin

Synthesis and SAR of p38α MAP kinase inhibitors based on heterobicyclic scaffolds

Murali Dhar,Wrobleski, Stephen T.,Lin, Shuqun,Furch, Joseph A.,Nirschl, David S.,Fan, Yi,Todderud, Gordon,Pitt, Sidney,Doweyko, Arthur M.,Sack, John S.,Mathur, Arvind,McKinnon, Murray,Barrish, Joel C.,Dodd, John H.,Schieven, Gary L.,Leftheris, Katerina

, p. 5019 - 5024 (2008/03/11)

The synthesis and structure-activity relationships (SAR) of p38α MAP kinase inhibitors based on heterobicyclic scaffolds are described. This effort led to the identification of compound (21) as a potent inhibitor of p38α MAP kinase with good cellular potency toward the inhibition of TNF-α production. X-ray co-crystallography of an oxalamide analog (24) bound to unphosphorylated p38α is also disclosed.

BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF

-

Page/Page column 58-59, (2010/02/12)

Amine compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, includin

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