Bambuterol HCl (Bambec; Oxeol; KWD-2183l; UNII-Y1850G1OVC), the hydrochloride salt of Bambuterol which is a prodrug of terbutaline, is a potent and long acting beta-adrenoceptor agonist (LABA) that was approved (outside the US) for use in the treatment of asthma. Bambuterol functions as a bronchodilator, extending the duration of suxamethonium-induced neuromuscular blockade by inhibiting plasma BChE (cholinesterase) during metabolism.

Physicochemical Properties

Molecular Formula	C18H30CLN3O5
Molecular Weight	403.90
Exact Mass	403.187
Elemental Analysis	C, 40.74; H, 3.65; Br, 18.07; N, 15.84; O, 21.71
CAS #	81732-46-9
Related CAS #	Bambuterol-d9 hydrochloride; 1794810-59-5; Bambuterol; 81732-65-2
PubChem CID	54765
Appearance	White to off-white solid powder
Density	1.154g/cm3
Boiling Point	500.9ºC at 760 mmHg
Melting Point	222-224ºC
Flash Point	256.7ºC
Index of Refraction	1.533
LogP	3.421
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	27
Complexity	446
Defined Atom Stereocenter Count	0
SMILES	Cl.O=C(N(C)C)OC1C=C(C(CNC(C)(C)C)O)C=C(OC(N(C)C)=O)C=1
InChi Key	LBARATORRVNNQM-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H
Chemical Name	[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate;hydrochloride
Synonyms	KWD-2183 HCl; Bambec; Oxeol; KWD2183 HCl; UNII-Y1850G1OVC; KWD 2183 HCl; Bambuterol Hydrochloride; Bambuterol HCl; CHEBI:59167; DSSTox_CID_25515
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	beta-adrenoceptor
ln Vitro	Bambuterol ((±)-Bambuterol hydrochloride; KWD-2183 hydrochloride) should not be taken by pregnant women or those with severe liver impairment. Renal impairment sufferers can use it, but dose modifications are required. Similar to salbutamol, bambuterol can cause similar adverse effects, such as headache, dizziness, tremor, nausea, and exhaustion.
References	[1]. Bambuterol, From Wikipedia
Additional Infomation	Bambuterol hydrochloride is the hydrochloride salt of bambuterol. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline. It has a role as an anti-asthmatic drug, a bronchodilator agent, a prodrug, a beta-adrenergic agonist, a sympathomimetic agent and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a hydrochloride, a carbamate ester and a member of phenylethanolamines. It contains a bambuterol.

Solubility Data

Solubility (In Vitro)

DMSO: 80~120 mg/mL (198.1~297.1 mM) Water: ~72 mg/mL (~178.3 mM) Ethanol: ~28 mg/mL (~69.3 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3 mg/mL (7.43 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 30.0 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: ≥ 3 mg/mL (7.43 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 30.0 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: ≥ 3 mg/mL (7.43 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 30.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 50 mg/mL (123.79 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4759 mL	12.3793 mL	24.7586 mL
	5 mM	0.4952 mL	2.4759 mL	4.9517 mL
	10 mM	0.2476 mL	1.2379 mL	2.4759 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.