Abediterol napadisylate

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MedKoo CAT#: 598422

CAS#: 1044516-17-7 (napadisylate)

Description: Abediterol napadisylate is a novel long-acting β2-agonist: efficacy, safety and tolerability in persistent asthma.


Chemical Structure

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Abediterol napadisylate
CAS# 1044516-17-7 (napadisylate)

Theoretical Analysis

MedKoo Cat#: 598422
Name: Abediterol napadisylate
CAS#: 1044516-17-7 (napadisylate)
Chemical Formula: C60H68F4N4O14S2
Exact Mass:
Molecular Weight: 1209.33
Elemental Analysis: C, 59.59; H, 5.67; F, 6.28; N, 4.63; O, 18.52; S, 5.30

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 915133-65-2 (free base)   1044516-17-7 (napadisylate)    

Synonym: Abediterol napadisylate; LAS100977 napadisylate;

IUPAC/Chemical Name: (R)-5-(2-((6-(2,2-difluoro-2-phenylethoxy)hexyl)amino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one heminaphthalene-1,5-disulfonate

InChi Key: YWFAHMIAJNFTHW-VRCDMBAWSA-N

InChi Code: InChI=1S/2C25H30F2N2O4.C10H8O6S2/c2*26-25(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;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*3-5,8-13,22,28,30-31H,1-2,6-7,14-17H2,(H,29,32);1-6H,(H,11,12,13)(H,14,15,16)/t2*22-;/m00./s1

SMILES Code: O=S(C1=C2C=CC=C(S(=O)(O)=O)C2=CC=C1)(O)=O.O=C3NC4=C(C([C@@H](O)CNCCCCCCOCC(F)(F)C5=CC=CC=C5)=CC=C4O)C=C3.O=C6NC7=C(C([C@@H](O)CNCCCCCCOCC(F)(F)C8=CC=CC=C8)=CC=C7O)C=C6

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

Shelf Life: >3 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: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 1209.33 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

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1: 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.

2: 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.

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. PubMed PMID: 27439370; PubMed Central PMCID: PMC4955259.

4: 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.

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. PubMed PMID: 22588259.

6: 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.

7: 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.

8: 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.

9: 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.

10: 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). doi: 10.1002/prp2.356. PubMed PMID: 28971615; PubMed Central PMCID: PMC5625160.

11: Ramos I, Aparici M, Letosa M, Puig C, Gavaldà A, Huerta JM, Espinosa S, Vilella D, Miralpeix M. Abediterol (LAS100977), an inhaled long-acting β(2)-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. PubMed PMID: 29183838.

12: 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. Review. PubMed PMID: 28891349.