Thonzylamine is an orally bioactive H1 histamine receptor antagonist (inhibitor) with promising antihistamine and antiallergic properties. Thonzylamine may be utilized in the research of allergic diseases, nasal congestion, allergic conjunctivitis and other allergic diseases.

Physicochemical Properties

Molecular Formula	C16H22N4O
Molecular Weight	286.37
Exact Mass	286.179
CAS #	91-85-0
Related CAS #	63-56-9 (mono-hydrochloride)
PubChem CID	5457
Appearance	Colorless to light yellow viscous liquid
Density	1.121g/cm3
Boiling Point	440.6ºC at 760 mmHg
Melting Point	173-176
Flash Point	220.3ºC
Index of Refraction	1.584
LogP	2.053
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	21
Complexity	274
Defined Atom Stereocenter Count	0
SMILES	CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2
InChi Key	GULNIHOSWFYMRN-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3
Chemical Name	N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
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
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	H1 Receptor
References	[1]. Design, synthesis and biological activity of a novel ethylenediamine derivatives as H 1 receptor antagonists. Bioorg Med Chem. 2019 Dec 15; 27(24): 115127. [2]. Neohetramine and thephorin; two new antihistaminic drugs. Can Med Assoc J. 1948 Nov; 59(5): 438-41.
Additional Infomation	Thonzylamine appears as an oily liquid. Used (in the form of the hydrochloride) as an antihistamine. N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyrimidinyl)ethane-1,2-diamine is a member of methoxybenzenes. Thonzylamine is an antihistamine and anticholinergic drug. It is available as combination products with [DB04837] or [DB00388] for temporary relief of symptoms of common cold, hay fever (allergic rhinitis) or other upper respiratory allergies. Drug Indication Thozylamine is indicated for use in the symptomatic control of allergic rhinitis or other upper respiratory allergic symptoms. It is typically a part of combination over the counter products. FDA Label Mechanism of Action Thonzylamine competes with histamine for binding to the H1 histamine receptor. Binding of histamine to this receptor stimulates vasodilation and increased vascular permeability leading to nasal congestion and runny nose. Histamine also produces itchiness by stimulating nerve endings which can result in sneezing. By blocking these effects, thonzylamine can reduce or eliminate symptoms of allergic rhinitis. Pharmacodynamics Thonzylamine is a first-generation antihistamine. It antagonizes the action of histamine to relief allergic symptoms like nasal congestion, runny nose, itchy eyes, itchy nose and throat, and sneezing

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (349.20 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.73 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 (8.73 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 25.0 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: ≥ 2.5 mg/mL (8.73 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	3.4920 mL	17.4599 mL	34.9199 mL
	5 mM	0.6984 mL	3.4920 mL	6.9840 mL
	10 mM	0.3492 mL	1.7460 mL	3.4920 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.