WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 319754
CAS#: 915133-65-2 (free base)
Description: Abediterol, also known as LAS100977, is a novel potent, long-acting inhaled β(2)-adrenoceptor agonist in development for the treatment of asthma and chronic obstructive pulmonary disease. Abediterol shows subnanomolar affinity for the human β(2)-adrenoceptor and a functional selectivity over β(1)-adrenoceptors higher than that of formoterol and indacaterol in both a cellular model with overexpressed human receptors and isolated guinea pig tissue. Abediterol is a full agonist at the human β(2)-adrenoceptor (E(max) = 91 ± 5% of the maximal effect of isoprenaline). The potency and onset of action that abediterol shows in isolated human bronchi (EC(50) = 1.9 ± 0.4 nM; t½ onset = 7-10 min) is not significantly different from that of formoterol, but its duration of action (t½ ∼ 690 min) is similar to that of indacaterol.
MedKoo Cat#: 319754
Name: Abediterol
CAS#: 915133-65-2 (free base)
Chemical Formula: C25H30F2N2O4
Exact Mass: 460.2174
Molecular Weight: 460.5218
Elemental Analysis: C, 65.20; H, 6.57; F, 8.25; N, 6.08; O, 13.90
Related CAS #: 915133-65-2 (free base) 1044516-17-7 (napadisylate)
Synonym: LAS100977; LAS-100977; LAS 100977; Abediterol
IUPAC/Chemical Name: 5-((1R)-2-((6-(2,2-Difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8- hydroxyquinolin-2(1H)-one
InChi Key: SFYAXIFVXBKRPK-QFIPXVFZSA-N
InChi Code: InChI=1S/C25H30F2N2O4/c26-25(27,18-8-4-3-5-9-18)17-33-15-7-2-1-6-14-28-16-22(31)19-10-12-21(30)24-20(19)11-13-23(32)29-24/h3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32)/t22-/m0/s1
SMILES Code: O=C1NC2=C(C([C@@H](O)CNCCCCCCOCC(F)(F)C3=CC=CC=C3)=CC=C2O)C=C1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 460.5218 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Aparici M, Gavaldà A, Ramos I, Carcasona C, Otal R, Fernández-Blanco JA, Montero JL, García VM, López R, De Alba J, Doe C, Puig C, Vilella D, Miralpeix M. In vitro and in vivo preclinical profile of abediterol (LAS100977), an inhaled long-acting β2-adrenoceptor agonist, compared with indacaterol, olodaterol and vilanterol. Eur J Pharmacol. 2016 Jan 5;770:61-9. doi: 10.1016/j.ejphar.2015.11.053. Epub 2015 Dec 4. PubMed PMID: 26656755.
2: Montuschi P, Ciabattoni G. Bronchodilating drugs for chronic obstructive pulmonary disease: current status and future trends. J Med Chem. 2015 May 28;58(10):4131-64. doi: 10.1021/jm5013227. Epub 2015 Feb 9. PubMed PMID: 25587755.
3: Singh D, Pujol H, Ribera A, Seoane B, Massana E, Astbury C, Ruiz S, de Miquel G. A dose-ranging study of the bronchodilator effects of abediterol (LAS100977), a long-acting β2-adrenergic agonist, in asthma; a Phase II, randomized study. BMC Pulm Med. 2014 Nov 14;14:176. doi: 10.1186/1471-2466-14-176. PubMed PMID: 25398689; PubMed Central PMCID: PMC4320624.
4: Beier J, Fuhr R, Massana E, Jiménez E, Seoane B, de Miquel G, Ruiz S. Abediterol (LAS100977), a novel long-acting β2-agonist: efficacy, safety and tolerability in persistent asthma. Respir Med. 2014 Oct;108(10):1424-9. doi: 10.1016/j.rmed.2014.08.005. Epub 2014 Sep 8. PubMed PMID: 25256258.
5: Timmer W, Massana E, Jimenez E, Seoane B, de Miquel G, Ruiz S. First-in-human study of the safety, tolerability, pharmacokinetics and pharmacodynamics of abediterol (LAS100977), a novel long-acting Β2 -agonist. J Clin Pharmacol. 2014 Dec;54(12):1347-53. doi: 10.1002/jcph.355. Epub 2014 Jul 8. PubMed PMID: 24989946.
6: Fuso L, Mores N, Valente S, Malerba M, Montuschi P. Long-acting beta-agonists and their association with inhaled corticosteroids in COPD. Curr Med Chem. 2013;20(12):1477-95. Review. PubMed PMID: 23409722.
7: Cazzola M, Page CP, Rogliani P, Matera MG. β2-agonist therapy in lung disease. Am J Respir Crit Care Med. 2013 Apr 1;187(7):690-6. doi: 10.1164/rccm.201209-1739PP. Review. PubMed PMID: 23348973.
8: Aparici M, Gómez-Angelats M, Vilella D, Otal R, Carcasona C, Viñals M, Ramos I, Gavaldà A, De Alba J, Gras J, Cortijo J, Morcillo E, Puig C, Ryder H, Beleta J, Miralpeix M. Pharmacological characterization of abediterol, a novel inhaled β(2)-adrenoceptor agonist with long duration of action and a favorable safety profile in preclinical models. J Pharmacol Exp Ther. 2012 Aug;342(2):497-509. doi: 10.1124/jpet.112.193284. Epub 2012 May 15. PubMed PMID: 22588259.
