Abediterol
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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.


Chemical Structure

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Abediterol
CAS# 915133-65-2 (free base)

Theoretical Analysis

MedKoo Cat#: 319754
Name: Abediterol
CAS#: 915133-65-2 (free base)
Chemical Formula: C25H30F2N2O4
Exact Mass: 460.22
Molecular Weight: 460.522
Elemental Analysis: C, 65.20; H, 6.57; F, 8.25; N, 6.08; O, 13.90

Price and Availability

Size Price Availability Quantity
1mg USD 150 Ready to ship
5mg USD 450 Ready to ship
10mg USD 750 Ready to ship
25mg USD 1650 Ready to ship
50mg USD 2950 Ready to ship
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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

More Info:

Biological target: Abediterol, also known as LAS100977, is a novel potent, long-acting inhaled β(2)-adrenoceptor agonist.
In vitro activity: TBD
In vivo activity: TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 460.52 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.

Recalculate based on batch purity %
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
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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1: Ramos I, Aparici M, Letosa M, Puig C, Gavaldà A, Huerta JM, Espinosa S, Vilella D, Miralpeix M. Abediterol (LAS100977), an inhaled long-acting β2-adrenoceptor agonist, has a fast association rate and long residence time at receptor. Eur J Pharmacol. 2018 Jan 15;819:89-97. doi: 10.1016/j.ejphar.2017.11.043. Epub 2017 Nov 26. PMID: 29183838.


2: 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. PMID: 25256258.


3: Beier J, Pujol H, Seoane B, Jimenez E, Astbury C, Massana E, Ruiz S, de Miquel G. Abediterol, a novel long-acting β2-agonist: bronchodilation, safety, tolerability and pharmacokinetic results from a single-dose, dose-ranging, active-comparator study in patients with COPD. BMC Pulm Med. 2016 Jul 20;16(1):102. doi: 10.1186/s12890-016-0266-5. PMID: 27439370; PMCID: PMC4955259.


4: Cazzola M, Rogliani P, Matera MG. Ultra-LABAs for the treatment of asthma. Respir Med. 2019 Sep;156:47-52. doi: 10.1016/j.rmed.2019.08.005. Epub 2019 Aug 12. PMID: 31425937.


5: 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. PMID: 22588259.


6: Beier J, Fuhr R, Seoane B, Massana E, de Miquel G, Pujol H, Ruiz S. Efficacy, safety, and tolerability of once-daily abediterol in patients with stable, persistent asthma: a Phase II, randomized, 7-day, crossover study. Pharmacol Res Perspect. 2017 Oct;5(5):e00356. doi: 10.1002/prp2.356. PMID: 28971615; PMCID: PMC5625160.


7: 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. PMID: 26656755.


8: 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. PMID: 25398689; PMCID: PMC4320624.


9: 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. PMID: 24989946.


10: Crisafulli E, Frizzelli A, Fantin A, Manco A, Mangia A, Pisi G, Fainardi V, Alfieri V, Aiello M, Bertorelli G, Chetta A. Next generation beta adrenoreceptor agonists for the treatment of asthma. Expert Opin Pharmacother. 2017 Oct;18(14):1499-1505. doi: 10.1080/14656566.2017.1378348. Epub 2017 Sep 14. PMID: 28891349.


11: 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. PMID: 23348973.


12: 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. doi: 10.2174/0929867311320120003. PMID: 23409722.


13: 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. PMID: 25587755.