3440-19-5

Basic information

• Product Name: Etatryn
• Synonyms: Etatryn;4,6-Dichloro-N-ethyl-1,3,5-triazin-2-amine;N-Ethyl-4,6-dichloro-1,3,5-triazin-2-amine;(4,6-dichloro-s-triazin-2-yl)-ethyl-amine;1,3,5-Triazin-2-aMine, 4,6-dichloro-N-ethyl-;2,4-Dichloro-6-(ethylamino)-1,3,5-triazine
• CAS NO: 3440-19-5
• Molecular Formula: C₅H₆Cl₂N₄
• Molecular Weight: 193.03
• Mol File: 3440-19-5.mol
• Article Data: 10

Chemical Properties

• Melting Point: 108.5-109 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 362.707 °C at 760 mmHg
• Flash Point: 173.159 °C
• Appearance: /
• Density: 1.496 g/cm³
• Vapor Pressure: 1.9E-05mmHg at 25°C
• Refractive Index: 1.607
• PKA: 0.96±0.10(Predicted)
• CAS DataBase Reference: Etatryn(CAS DataBase Reference)
• NIST Chemistry Reference: Etatryn(3440-19-5)
• EPA Substance Registry System: Etatryn(3440-19-5)

Safety Data

• Hazardous Substances Data: 3440-19-5(Hazardous Substances Data)

Usage

Uses

Etatryn is an intermediate in the synthesis of Cyanazine Acid (C953550), which is a water-soluble herbicide, considered a ground water pollutant.

InChI:InChI=1/C5H6Cl2N4/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H,8,9,10,11)

Upstream product

• 108-77-0 1,3,5-trichloro-2,4,6-triazine 
• 75-04-7 ethylamine 
• 557-66-4 ethanamine hydrochloride 

Downstream Products

• 1912-26-1 2-chloro-4-diethylamino-6-ethylamino-1,3,5-triazine 

Relevant articles and documents

Synthesis of a series of dichloroamino- and dihalosulfonamido-1,3,5-triazines and investigation of their hindered rotation and stereodynamic behaviour by NMR spectroscopy

Mono-substituted 1,3,5-triazines (s-triazines) have been prepared and characterised by NMR spectroscopy. The room temperature 13C NMR spectra of dichloroamino-s-triazines show three signals for the triazine ring, clearly indicating that C(2) and C(3) are in inequivalent environments. At elevated temperatures, two of the signals broaden and coalesce. Conversely, a number of dihalosulfonamido-s-triazine compounds were found to display only one signal for C(2) and C(3), indicating that the degree of π-bonding in the exocyclic C-N bond in these compounds is less significant. The low temperature exchange limits for the dihalosulfonamido-s-triazine compounds are reported.

Discovery of a Novel Mycobacterial F-ATP Synthase Inhibitor and its Potency in Combination with Diarylquinolines

The F1FO-ATP synthase is required for growth and viability of Mycobacterium tuberculosis and is a validated clinical target. A mycobacterium-specific loop of the enzyme's rotary γ subunit plays a role in the coupling of ATP synthesis within the enzyme complex. We report the discovery of a novel antimycobacterial, termed GaMF1, that targets this γ subunit loop. Biochemical and NMR studies show that GaMF1 inhibits ATP synthase activity by binding to the loop. GaMF1 is bactericidal and is active against multidrug- as well as bedaquiline-resistant strains. Chemistry efforts on the scaffold revealed a dynamic structure activity relationship and delivered analogues with nanomolar potencies. Combining GaMF1 with bedaquiline or novel diarylquinoline analogues showed potentiation without inducing genotoxicity or phenotypic changes in a human embryonic stem cell reporter assay. These results suggest that GaMF1 presents an attractive lead for the discovery of a novel class of anti-tuberculosis F-ATP synthase inhibitors.

Design, Synthesis, and Characterization of Ogerin-Based Positive Allosteric Modulators for G Protein-Coupled Receptor 68 (GPR68)

G protein-coupled receptor 68 (GPR68) is an understudied orphan G protein-coupled receptor (GPCR). It is expressed most abundantly in the brain, potentially playing important roles in learning and memory. Pharmacological studies with GPR68 have been hinde