LY231617 is a potent antioxidant that can penetrate the BBB (blood-brain barrier). LY231617 is a potent neuro-protection agent in the brain and may be utilized in the research of neurological diseases.

Physicochemical Properties

Molecular Formula	C17H30CLNO
Molecular Weight	299.88
Exact Mass	299.202
CAS #	141545-89-3
Related CAS #	93811-58-6 (Parent)
PubChem CID	178576
Appearance	Light yellow to yellow solid powder
Boiling Point	316.4ºC at 760 mmHg
Flash Point	14.3ºC
Vapour Pressure	0.000222mmHg at 25°C
Index of Refraction	1.503
LogP	5.289
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	20
Complexity	250
Defined Atom Stereocenter Count	0
SMILES	Cl.CCNCC1C=C(C(C)(C)C)C(O)=C(C(C)(C)C)C=1
InChi Key	SIWZKGFBUXQFDK-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H29NO.ClH/c1-8-18-11-12-9-13(16(2,3)4)15(19)14(10-12)17(5,6)7;/h9-10,18-19H,8,11H2,1-7H3;1H
Chemical Name	2,6-ditert-butyl-4-(ethylaminomethyl)phenol;hydrochloride
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

ln Vitro	Hippocampal cultures are less susceptible to H2O2 toxicity when LY231617 (0.25, 1, 5, 10, and 25 μM; overnight) is administered. The maximum effect is achieved at a concentration of 10 μM[1]. Glutathione depletion and the synthesis of 8-isoprostane are inhibited by LY231617 (5 μM; overnight)[1].
ln Vivo	Rats' global ischemia neuronal damage is decreased by LY231617 (50 mg/kg; po 30 min before occlusion)[2]. The striatum and hippocampal regions are shielded from four-vessel occlusion by LY231617 (20 mg/kg; intravenous 30 minutes after occlusion)[2].
Animal Protocol	Animal/Disease Models: Male Wistar rats four-vessel occlusion[2] Doses: 50 mg/kg Route of Administration: Oral gavage; 50 mg/kg 30 minutes before occlusion Experimental Results: Dramatically protected both the hippocampus and striatum from 30 minutes of four-vessel occlusion. Animal/Disease Models: Male Wistar rats four-vessel occlusion[2] Doses: 20 mg/kg Route of Administration: intravenous (iv) injection ; 20 mg/kg 30 minutes after occlusion Experimental Results: Dramatically protected the hippocampus and the striatum when given 30 minutes after the onset of the ischemia at the time of reperfusion.
References	[1]. Fuson KS, et al. Characterization of LY231617 protection against hydrogen peroxide toxicity. J Neurochem. 1999 Mar;72(3):1154-60. [2]. Clemens JA, et al. The antioxidant LY231617 reduces global ischemic neuronal injury in rats. Stroke. 1993 May;24(5):716-22; discussion 722-3.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (833.67 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.94 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 20.8 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.94 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (6.94 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 20.8 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	3.3347 mL	16.6733 mL	33.3467 mL
	5 mM	0.6669 mL	3.3347 mL	6.6693 mL
	10 mM	0.3335 mL	1.6673 mL	3.3347 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.