30711-93-4

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30711-93-4 Structure

Identification	Back Directory
[Name] 1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-, hydrochloride(1:1)
[CAS] 30711-93-4
[Synonyms] WR99210 hydrochloride WR99210 hydrochloride(47326-86-3 free base) 1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-, hydrochloride(1:1)
[Molecular Formula] C14H19Cl4N5O2
[MOL File] 30711-93-4.mol
[Molecular Weight] 431.14

Chemical Properties	Back Directory
[storage temp. ] -20°C
[solubility ] DMSO: 2mg/mL, clear
[form ] powder
[color ] white to beige
[InChI] 1S/C14H18Cl3N5O2.ClH/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17;/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21);1H
[InChIKey] VOTSDCGUYAGUNS-UHFFFAOYSA-N
[SMILES] [Cl-].Clc1c(cc(c(c1)Cl)OCCCON2C(N=C(N=C2N)N)(C)C)Cl.[H+]

Safety Data	Back Directory
[WGK Germany ] WGK 3
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Description] BRL 6231 is a triazine antimalarial.
[Uses] WR99210 hydrochloride is an orally active and low-toxicity dihydrofolate reductase (DHFR) inhibitor (IC50<0.075 nM). WR99210 hydrochloride shows good antiparasitic activity and is effective against P. falciparum and P. falciparum strains as well as T. gondii[1][2][3].
[References] [1] Mui EJ, et al. Triazine Inhibits Toxoplasma gondii tachyzoites in vitro and in vivo. Antimicrob Agents Chemother. 2005 Aug;49(8):3463-7. DOI:10.1128/AAC.49.8.3463-3467.2005 [2] Hastings MD, et al. Pyrimethamine and WR99210 exert opposing selection on dihydrofolatereductase from Plasmodium vivax. Proc Natl Acad Sci U S A. 2002 Oct 1;99(20):13137-41. DOI:10.1073/pnas.182295999 [3] Kiara SM, et al. In vitro activity of antifolate and polymorphism in dihydrofolate reductase of Plasmodium falciparum isolates from the Kenyan coast: emergence of parasites with Ile-164-Leu mutation. Antimicrob Agents Chemother. 2009 Sep;53(9):3793-8. DOI:10.1128/AAC.00308-09

Spectrum Detail	Back Directory
[Spectrum Detail] 1,3,5-Triazine-2,4-diamine,1,6-dihydro-6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-, hydrochloride(1:1)(30711-93-4)¹HNMR

30711-93-4 suppliers list

Company Name:	Shanghai Yifei Biotechnology Co. , Ltd.
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