AHN 1-055 HCl is a dopamine uptake inhibitor (antagonist) with IC50 of 71 nM. AHN 1-055 HCl has high affinity for the dopamine transporter (DAT).

Physicochemical Properties

Molecular Formula	C21H24CLF2NO
Molecular Weight	379.87
Exact Mass	379.151
CAS #	202646-03-5
PubChem CID	24978533
Appearance	Typically exists as solid at room temperature
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Complexity	396
Defined Atom Stereocenter Count	2
SMILES	Cl.FC1=CC=C(C(C2=CC=C(F)C=C2)OC2CC3CCC(N3C)C2)C=C1
InChi Key	YOORVSGDAHWVMC-IIPFOPBBSA-N
InChi Code	InChI=1S/C21H23F2NO.ClH/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15;/h2-9,18-21H,10-13H2,1H3;1H/t18-,19+,20?;
Chemical Name	(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;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

Targets	IC50: 71 nM (dopamine uptake)[1]
ln Vivo	AHN 1-055 (5 mg/kg; intravenous administration) inhibits the absorption of dopamine in the brain, with an in vivo IC50 of 311.8 ng/ml[1]. Because of its 18.7 L/kg volume of distribution and 1.8 L/h/kg plasma clearance, AHN 1-055 (10 mg/kg; i.v.) has a terminal elimination half-life of 7.69 hours and a Cmax of 1.48 mg/L[1].
Animal Protocol	Animal/Disease Models: Adult male Sprague Dawley rats (250-275 g)[1] Doses: 5 mg/kg (pharmacokinetic/PK Analysis) Route of Administration: Iv administration Experimental Results: Cmax (1.48 mg/L); T1/2 (7.69 h).
References	[1]. Sangeeta R, et, al. Investigation of the potential pharmacokinetic and pharmaco-dynamic drug interaction between AHN 1-055, a potent benztropine analog used for cocaine abuse, and cocaine after dosing in rats using intracerebral microdialysis. Biopharm Drug Dispos. 2006 Jul; 27(5): 229-40.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (263.25 mM) H2O: 33.33 mg/mL (87.74 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.48 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 (5.48 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 (5.48 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	2.6325 mL	13.1624 mL	26.3248 mL
	5 mM	0.5265 mL	2.6325 mL	5.2650 mL
	10 mM	0.2632 mL	1.3162 mL	2.6325 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.