Procaterol HCl hemihydrate is an orally bioactive β2 adrenoreceptor agonist (activator). Procaterol HCl hemihydrate may be used in asthma research.

Physicochemical Properties

Molecular Formula	C16H23CLN2O3.1/2H2O
Molecular Weight	335.82
Exact Mass	326.139
CAS #	81262-93-3
Related CAS #	Procaterol hydrochloride;62929-91-3;(Rac)-Procaterol hydrochloride;59828-07-8
PubChem CID	656601
Appearance	White to off-white solid powder
Boiling Point	559.1ºC at 760 mmHg
Flash Point	291.9ºC
LogP	3.236
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	22
Complexity	397
Defined Atom Stereocenter Count	0
SMILES	[C@@H](C1C=CC(O)=C2NC(C=CC=12)=O)(O)[C@@H](CC)NC(C)C.Cl.O
InChi Key	AEQDBKHAAWUCMT-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H22N2O3.ClH/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15;/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20);1H
Chemical Name	8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;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	In human tracheal epithelial cells, procaterol hydrochloride hemihydrate (0.1 μM, 24-72 hours) suppresses rhinovirus infection [4]. In BEAS-2B cells, procaterol hydrochloride hemihydrate (0–1 μg/mL, 24/48 h) suppresses eosinophil chemotactic activity mediated by TNF-α and IL-1β [5]. Procaterol hydrochloride hemihydrate (25–200 nM, 20 h) guards against oxidative damage caused by H2O2 in 16HBE cells [6].
ln Vivo	In the airways of allergic, inflamed guinea pigs, procaterol hydrochloride hemihydrate (1, 3 or 10 μg/mL) suppresses histamine-induced airflow blockage and microvascular leakage[2]. In conscious guinea pigs, procaterol hydrochloride hemihydrate (0.1 mg/kg, ip) totally removes Mch-induced cough[3].
Animal Protocol	Animal/Disease Models: Allergic inflammatory guinea-pig model[2] Doses: 1, 3 or 10 μg/mL Route of Administration: Inhaled administration Experimental Results: Inhibited histamine-induced airflow obstruction and microvascular leakage.
References	[1]. Tukiainen H, et al. Comparison between oral procaterol and salbutamol in patients with bronchial asthma. Curr Med Res Opin. 1988;11(4):236-41. [2]. Mirza ZN, et al. Inhaled procaterol inhibits histamine-induced airflow obstruction and microvascular leakage in guinea-pig airways with allergic inflammation. Clin Exp Allergy. 1998 May;28(5):644-52. [3]. Ohkura N, et al. Bronchoconstriction-triggered cough in conscious guinea pigs. Exp Lung Res. 2009 May;35(4):296-306. [4]. Yamaya M, et al. Procaterol inhibits rhinovirus infection in primary cultures of human tracheal epithelial cells. Eur J Pharmacol. 2011 Jan 10;650(1):431-44. [5]. Koyama S, et al. Procaterol inhibits IL-1beta- and TNF-alpha-mediated epithelial cell eosinophil chemotactic activity. Eur Respir J. 1999 Oct;14(4):767-75. [6]. Deng Z, et al. Procaterol but not dexamethasone protects 16HBE cells from H₂O₂-induced oxidative stress. J Pharmacol Sci. 2014;125(1):39-50.
Additional Infomation	Procaterol hydrochloride is an organic molecular entity. A long-acting beta-2-adrenergic receptor agonist. See also: Procaterol Hydrochloride (annotation moved to).

Solubility Data

Solubility (In Vitro)

H2O: 25 mg/mL (74.44 mM)

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *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. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.9778 mL	14.8889 mL	29.7779 mL
	5 mM	0.5956 mL	2.9778 mL	5.9556 mL
	10 mM	0.2978 mL	1.4889 mL	2.9778 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.