Ablukast

CAS

96566-25-5

Catalog Number

ACM96566255-1

Category

Antagonists

Molecular Weight

498.57

Molecular Formula

C28H34O8

MSDS COA Spec Sheet

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Specification

Description

Ablukast is a leuktriene receptor antagonist that acts as an anti-asthmatic.

Synonyms

Ablukast; Ro 23-3544; Ro-23-3544; Ro23-3544; Ro 233544; Ro-233544; Ro233544; Ro 23-3544/000

IUPAC Name

2H-1-Benzopyran-2-carboxylic acid, 6-acetyl-7-((5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl)oxy)-3,4-dihydro-, (+-)-

Canonical SMILES

O=C(C1CCC2=CC(C(C)=O)=C(OCCCCCOC3=CC=C(C(C)=O)C(O)=C3CCC)C=C2O1)O

InChI

InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)

InChI Key

FGGYJWZYDAROFF-UHFFFAOYSA-N

Solubility

Soluble in DMSO

Appearance

Solid powder

Shelf Life

>2 years if stored properly

Storage

Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).

Alternative CAS

96565-55-8 (sodium); 96566-25-5 (free acid); 96686-71-4 (S-isomer); 96686-73-6 (R-isomer)

Biological Target

Ablukast (Ro 23-3544) is a specific and active leukotriene receptor antagonist that effectively reduces LTC4- and antigen-induced bronchoconstriction

Drug Formulation

This drug may be formulated in DMSO

Elemental Analysis

C, 67.45; H, 6.87; O, 25.67

Exact Mass

498.2254

HS Tariff Code

2934.99.9001

In Vitro Activity

TBD

In Vivo Activity

In this study, the dose-response curves of N-methyl LTC4 (NMLTC4), the nonmetabolizable LTC4 analogue, and the peptidoleukotrienes (LTC4, LTD4, and LTE4) were obtained in the absence and presence of the leukotriene antagonist Ro 23-3544 in cannulated frogs. The NMLTC4- and LTC4-induced hypotensive effects were antagonized by Ro 23-3544. Ro 23-3544 also antagonized the effects induced by high doses of LTD4 and LTE4. Ro 23-3544 had no effect on duration of response and did not affect heart rate responses to LTC4 at low dose of the antagonist. The data suggest that receptors that preferentially bind LTC4 in bullfrog vascular smooth muscle regulate the hypotensive effect and that they can be antagonized by Ro 23-3544.
Reference: Can J Physiol Pharmacol. 1995 Mar;73(3):383-9. https://pubmed.ncbi.nlm.nih.gov/7648518/

Shipping

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.

Stock Solution Storage

0-4 °C for short term (days to weeks), or -20 °C for long term (months).