DHPS-IN-1 has the best DHPS inhibitory potency (IC50 = 0.014 μM) and excellent inhibitory activity against melanoma cells.

Physicochemical Properties

Molecular Formula	C17H13BRCLN3O2
Molecular Weight	406.661021947861
Exact Mass	404.99
CAS #	2643300-54-1
PubChem CID	156704958
Appearance	Solid powder
LogP	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	24
Complexity	398
Defined Atom Stereocenter Count	0
SMILES	BrC1C=CC(=CC=1)C1N=C(C(=C(N)N=1)OC1C=CC=CC=1OC)Cl
InChi Key	GBTXLCFBIYCONW-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H13BrClN3O2/c1-23-12-4-2-3-5-13(12)24-14-15(19)21-17(22-16(14)20)10-6-8-11(18)9-7-10/h2-9H,1H3,(H2,20,21,22)
Chemical Name	2-(4-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
Synonyms	DHPS-IN-1
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Novel Allosteric Inhibitors of Deoxyhypusine Synthase against Malignant Melanoma: Design, Synthesis, and Biological Evaluation. J Med Chem. 2021 Sep 23;64(18):13356-13372.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~245.91 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.15 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.15 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4591 mL	12.2953 mL	24.5906 mL
	5 mM	0.4918 mL	2.4591 mL	4.9181 mL
	10 mM	0.2459 mL	1.2295 mL	2.4591 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.