ABEDITEROL NAPADISYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C25H30F2N2O4.C10H8O6S2
Molecular Weight	1209.324
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.O[C@@H](CNCCCCCCOCC(F)(F)C3=CC=CC=C3)C4=CC=C(O)C5=C4C=CC(=O)N5.O[C@@H](CNCCCCCCOCC(F)(F)C6=CC=CC=C6)C7=CC=C(O)C8=C7C=CC(=O)N8

InChI

InChIKey=YWFAHMIAJNFTHW-VRCDMBAWSA-N

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

HIDE SMILES / InChI

Molecular Formula	C10H8O6S2
Molecular Weight	288.297
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C25H30F2N2O4
Molecular Weight	460.5135
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://adisinsight.springer.com/drugs/800026746 | https://www.ncbi.nlm.nih.gov/pubmed/27439370 | https://www.ncbi.nlm.nih.gov/pubmed/25256258

Abediterol, a fast and long-acting β2-adrenoceptor agonist (LABA), is being developed by AstraZeneca, for the treatment of asthma and chronic obstructive pulmonary disease. The investigational drug is a long-acting beta2-agonist (LABA) that has a bronchodilator effect, relaxing the muscles around the airways. It is currently under development and is in Phase II clinical trials.

Originator

Approval Year

PubMed

Title	Date	PubMed
Pharmacological characterization of abediterol, a novel inhaled β(2)-adrenoceptor agonist with long duration of action and a favorable safety profile in preclinical models.	2012 Aug	22588259
Abediterol (LAS100977), a novel long-acting β2-agonist: efficacy, safety and tolerability in persistent asthma.	2014 Oct	25256258
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.	2016 Jul 20	27439370

Patents

Sample Use Guides

In Vivo Use Guide

The first Phase 2 study of abediterol as a COPD treatment was completed in 2012. It evaluate four single doses of inhaled abediterol at 0.625, 2.5, 5 or 10 ug. Results showed that all doses significantly improved bronchodilation when compared to a placebo. Doses of 2.5, 5, and 10 ug also showed improvements when compared to the active comparator.

Route of Administration: Respiratory

In Vitro Use Guide

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)

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:26:52 GMT 2023` Edited by `admin` on `Sat Dec 16 01:26:52 GMT 2023`
Record UNII	Y1VU8893S8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABEDITEROL NAPADISYLATE

Official Name

English

Abediterol napadisylate [WHO-DD]

Common Name

English

LAS-100977 NAPADISYLATE

Code

English

LAS100977 NAPADISYLATE

Code

English

1,5-NAPHTHALENEDISULFONIC ACID, COMPD. WITH 5-((1R)-2-((6-(2,2-DIFLUORO-2-PHENYLETHOXY)HEXYL)AMINO)-1-HYDROXYETHYL)-8-HYDROXY-2(1H)-QUINOLINONE (1:2)

Common Name

English

ABEDITEROL NAPADISYLATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C48149