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2-Aminomethyl-3H-quinazolin-4-one is a chemical compound that belongs to the class of organic compounds known as phenylpiperidines, characterized by a phenyl group linked to a piperidine ring. It is significant in the field of medicinal chemistry due to its quinazolinone base, a heterocyclic compound that provides a rigid framework for bioactive molecules. Quinazolinones and their derivatives have been extensively studied for their wide range of pharmacological activities, contributing to treatments for various diseases like cancer, microbial infections, and cardiovascular diseases. Therefore, 2-Aminomethyl-3H-quinazolin-4-one has potential uses in drug development and pharmacological research.

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  • 437998-08-8 Structure
  • Basic information

    1. Product Name: 2-AMINOMETHYL-3H-QUINAZOLIN-4-ONE
    2. Synonyms: 2-AMINOMETHYL-3H-QUINAZOLIN-4-ONE;2-(aminomethyl)quinazolin-4(3H)-one;4(3H)-quinazolinone, 2-(aminomethyl)-;Albb-009354;2-(aminomethyl)quinazolin-4(3H)-one(SALTDATA: H2O);2-(AMinoMethyl)-4(3H)-quinazolinone;2-(aminomethyl)-1H-quinazolin-4-one;2-(aminomethyl)quinazolin-4(3H)-one hydrochloride
    3. CAS NO:437998-08-8
    4. Molecular Formula: C9H9N3O
    5. Molecular Weight: 175.19
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 437998-08-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 350.3°C at 760 mmHg
    3. Flash Point: 165.7°C
    4. Appearance: /
    5. Density: 1.41g/cm3
    6. Vapor Pressure: 4.44E-05mmHg at 25°C
    7. Refractive Index: 1.698
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-AMINOMETHYL-3H-QUINAZOLIN-4-ONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-AMINOMETHYL-3H-QUINAZOLIN-4-ONE(437998-08-8)
    12. EPA Substance Registry System: 2-AMINOMETHYL-3H-QUINAZOLIN-4-ONE(437998-08-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 437998-08-8(Hazardous Substances Data)

437998-08-8 Usage

Uses

Used in Pharmaceutical Industry:
2-Aminomethyl-3H-quinazolin-4-one is used as a key intermediate in the synthesis of various bioactive molecules for the development of new drugs. Its quinazolinone base offers a rigid framework that can be modified to enhance the pharmacological properties of the resulting compounds, making it a valuable asset in drug discovery and design.
Used in Anticancer Applications:
2-Aminomethyl-3H-quinazolin-4-one is used as a potential anticancer agent, given its ability to inhibit the growth and proliferation of cancer cells. Its quinazolinone core can be exploited to target specific signaling pathways and enzymes involved in cancer progression, offering a promising avenue for the development of novel anticancer therapies.
Used in Antimicrobial Applications:
2-Aminomethyl-3H-quinazolin-4-one is used as an antimicrobial agent, leveraging its quinazolinone structure to target and inhibit essential microbial processes, such as protein synthesis and cell wall synthesis. This makes it a potential candidate for the development of new antibiotics and antifungal agents to combat drug-resistant infections.
Used in Cardiovascular Applications:
2-Aminomethyl-3H-quinazolin-4-one is used as a potential cardiovascular agent, with its quinazolinone core potentially modulating key enzymes and receptors involved in cardiovascular diseases. This could lead to the development of new treatments for conditions such as hypertension, atherosclerosis, and heart failure.

Check Digit Verification of cas no

The CAS Registry Mumber 437998-08-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,3,7,9,9 and 8 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 437998-08:
(8*4)+(7*3)+(6*7)+(5*9)+(4*9)+(3*8)+(2*0)+(1*8)=208
208 % 10 = 8
So 437998-08-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H9N3O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-4H,5,10H2,(H,11,12,13)

437998-08-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(Aminomethyl)quinazolin-4(3H)-one

1.2 Other means of identification

Product number -
Other names 2-(aminomethyl)-1H-quinazolin-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:437998-08-8 SDS

437998-08-8Downstream Products

437998-08-8Relevant articles and documents

HETEROCYCLIC COMPOUNDS USEFUL AS IDO AND/OR TDO MODULATORS

-

, (2017/09/15)

Present invention relates to novel heterocyclic compounds as indoleamine 2,3- dioxygenase (IDO) and/or tryptophan 2,3-dioxygenase (TDO) modulators. Compounds of the present invention inhibit tryptophan degradation by modulating IDO and/or TDO. Formula (I) The invention further relates to the process of their preparation, pharmaceutical composition and their use in modulating the activity of indoleamine 2,3-dioxygenase (IDO) and/or tryptophan 2,3- dioxygenase (TDO). The compounds of the invention can be used alone or in combination for the treatment of conditions that benefits from the inhibition of tryptophan degradation.

Chemical probes to study ADP-ribosylation: Synthesis and biochemical evaluation of inhibitors of the human ADP-ribosyltransferase ARTD3/PARP3

Lindgren, Anders E.G.,Karlberg, Tobias,Ekblad, Torun,Spjut, Sara,Thorsell, Ann-Gerd,Andersson, C. David,Nhan, Ton Tong,Hellsten, Victor,Weigelt, Johan,Linusson, Anna,Schüler, Herwig,Elofsson, Mikael

, p. 9556 - 9568 (2014/01/06)

The racemic 3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[1-(pyridin-2-yl)ethyl] propanamide, 1, has previously been identified as a potent but unselective inhibitor of diphtheria toxin-like ADP-ribosyltransferase 3 (ARTD3). Herein we describe synthesis and evaluation of 55 compounds in this class. It was found that the stereochemistry is of great importance for both selectivity and potency and that substituents on the phenyl ring resulted in poor solubility. Certain variations at the meso position were tolerated and caused a large shift in the binding pose. Changes to the ethylene linker that connects the quinazolinone to the amide were also investigated but proved detrimental to binding. By combination of synthetic organic chemistry and structure-based design, two selective inhibitors of ARTD3 were discovered.

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