Abediterol napadisylate | CAS#1044516-17-7 | β2-agonist

MedKoo Cat#: 598422 | Name: Abediterol napadisylate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

Chemical Structure

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 currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 1,209.33 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.

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: 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.