6,6-Dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine

Base Information

• Chemical Name: 6,6-Dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine
• CAS No.: 47326-86-3
• Molecular Formula: C14H19Cl4N5O2
• Molecular Weight: 394.688
• DSSTox Substance ID: DTXSID30952947
• Nikkaji Number: J92.250A
• Wikidata: Q27467334
• Pharos Ligand ID: 8SFJPHG6GTFK
• Metabolomics Workbench ID: 151851
• ChEMBL ID: CHEMBL129788
• Mol file: 47326-86-3.mol

Synonyms:4,6-diamino-(1,2-dihydro)-2,2-dimethyl-1-(2,4,5-trichlorophenoxypropyloxy)-1,3,5-triazine.HCL;BRL 51084;BRL 6231;BRL 6231hydrochloride;BRL 6231mono-Hydrobromide;BRL-51084;BRL-6231;unspecified HCl of BRL 6231;WR 99210;WR-99210;WR99210-HCl

Chemical Property of 6,6-Dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine

Chemical Property:

• Vapor Pressure: 6.65E-11mmHg at 25°C
• Boiling Point: 519.7°C at 760 mmHg
• Flash Point: 268.1°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 393.052608
• Heavy Atom Count: 24
• Complexity: 503

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C

Technology Process of 6,6-Dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine

There total 1 articles about 6,6-Dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(2,4,5-trichlorophenoxypropyloxy)-1,3,5-triazine (47326-86-3)

Guidance literature:

Aus 1 d;

Refernces

Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance

10.1021/acsmedchemlett.8b00389

The research aims to develop hybrid inhibitors of Plasmodium falciparum dihydrofolate reductase (PfDHFR) that can effectively combat malaria and forestall the emergence of drug resistance in the parasite. The purpose of this study is to design and synthesize compounds that can inhibit both wild-type and multiple mutant forms of PfDHFR, which is a key enzyme in folate metabolism and a target for antimalarial drugs. The chemicals used in this process include pyrimethamine (Pyr), a known inhibitor of PfDHFR, and WR99210, a compound with flexible side chains that can avoid steric clashes with mutant PfDHFR. The researchers synthesized hybrid inhibitors BT1, BT2, and BT3, which incorporate both rigid and flexible diaminopyrimidine moieties. These compounds were tested for their inhibition constants, anti-plasmodial activities, and toxicities against mammalian cells. The results showed that BT1, in particular, had high selectivity and efficacy against both wild-type and mutant PfDHFRs, making it a promising candidate for further development as an antimalarial drug that could potentially overcome resistance issues.

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