449756-97-2

Basic information

• Product Name: 2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine
• Synonyms: CHEMBRDG-BB 4010904;BENZENEMETHANAMINE, 2-(1H-1,2,4-TRIAZOL-1-YL)-;AKOS B033749;2-[1,2,4]TRIAZOL-1-YL-BENZYLAMINE;2-[(1-1,2,4-Triazolyl)]benzenemethanamine;1-[2-(1H-1,2,4-Triazol-1-yl)phenyl]methanamine;2-(1H-1,2,4-triazol-1-yl)benzenemethanamine;1-(4-METHYLBENZYL)-1H-1,2,4-TRIAZOLE
• CAS NO: 449756-97-2
• Molecular Formula: C₉H₁₀N₄
• Molecular Weight: 174.2
• EINECS: 1312995-182-4
• Product Categories: API intermediates
• Mol File: 449756-97-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 375.863 °C at 760 mmHg
• Flash Point: 181.116 °C
• Appearance: /
• Density: 1.268 g/cm³
• Vapor Pressure: 7.55E-06mmHg at 25°C
• Refractive Index: 1.663
• CAS DataBase Reference: 2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine(449756-97-2)
• EPA Substance Registry System: 2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine(449756-97-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 449756-97-2(Hazardous Substances Data)

Usage

General Description

2-(1H-1,2,4-Triazol-1-yl)benzenemethanamine, also known as Trazodone, is a psychoactive drug that is primarily used to treat depression. It acts as a serotonin antagonist and reuptake inhibitor, meaning it helps to regulate the levels of serotonin in the brain. This can lead to improvements in mood and general well-being. Trazodone is also sometimes used to treat anxiety, insomnia, and other mood disorders. It is available in tablet form and is typically taken orally. Similar to other antidepressants, Trazodone may take several weeks to start working, and it is important to follow a doctor's instructions and dosage recommendations when using this medication.

InChI:InChI=1/C9H10N4/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H,5,10H2

Upstream product

• 25699-87-0 2-(1',2',4'-triazol-1'-yl)benzonitrile 
• 394-47-8 2-fluorobenzonitrile 

Downstream Products

• 724710-05-8 {1-(R)-benzyl-2-oxo-2-[2-(2-[1,2,4]triazol-1-yl-benzyl-carbamoyl)pyrrolidin-1-(S)-yl]-ethyl}carbamic acid tert-butyl ester 

Relevant articles and documents

Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors

In an effort to discover potent, clinically useful thrombin inhibitors, a rapid analogue synthetic approach was used to explore the P1 region. Various benzylamines were coupled to a pyridine/pyrazinone P2-P 3 template. One compound with an o-thiadiazole benzylic substitution was found to have a thrombin Ki of 0.84 nM. A study of ortho-substituted five-membered-ring heterocycles was undertaken and subsequently demonstrated that the o-triazole and tetrazole rings were optimal. Combination of these potent P1 aryl heterocycles with a variety of P2-P3 groups produced a compound with an extraordinary thrombin inhibitory activity of 1.4 pM. It is hoped that this potency enhancement in P1 will allow for more diversification in the P 2-P3 region to ultimately address additional pharmacological concerns.

Thrombin inhibitors

Compounds of the invention are useful in inhibiting thrombin and treating blood coagulation and cardiovascular disorders and have the following structure: wherein R3 is hydrogen or halogen, and u is N or CH.