Mitophagy activator 1 (Compound 16) is an activator of mitophagy (Mitophagy). Mitophagy activator 1 is also an enantiomer of EP-0035985.

Physicochemical Properties

Molecular Formula	C17H15F3N4
Molecular Weight	332.323013544083
Exact Mass	332.124
CAS #	2499962-58-0
Related CAS #	(Rac)-MTK458;2499962-44-4
PubChem CID	155187445
Appearance	White to yellow solid powder
LogP	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	24
Complexity	444
Defined Atom Stereocenter Count	1
SMILES	C1C[C@H](C2=CC=CC=C2C1)NC3=NC=NC4=C3C=C(N4)C(F)(F)F
InChi Key	JOIONRWKOGDQOG-CYBMUJFWSA-N
InChi Code	InChI=1S/C17H15F3N4/c18-17(19,20)14-8-12-15(21-9-22-16(12)24-14)23-13-7-3-5-10-4-1-2-6-11(10)13/h1-2,4,6,8-9,13H,3,5,7H2,(H2,21,22,23,24)/t13-/m1/s1
Chemical Name	N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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: Please store this product in a sealed and protected environment, 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]. De Roulet D, et al. Preparation of purinamines and pyrrolopyrimidinamines, compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease. World Intellectual Property Organization, WO2020206363 A1 2020-10-08.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~300.91 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.52 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. Solubility in Formulation 2: ≥ 2.38 mg/mL (7.16 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 23.8 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.0091 mL	15.0457 mL	30.0915 mL
	5 mM	0.6018 mL	3.0091 mL	6.0183 mL
	10 mM	0.3009 mL	1.5046 mL	3.0091 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.