Ablukast
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MedKoo CAT#: 571381

CAS#: 96566-25-5 (free acid)

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


Chemical Structure

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Ablukast
CAS# 96566-25-5 (free acid)

Theoretical Analysis

MedKoo Cat#: 571381
Name: Ablukast
CAS#: 96566-25-5 (free acid)
Chemical Formula: C28H34O8
Exact Mass: 498.2254
Molecular Weight: 498.57
Elemental Analysis: C, 67.45; H, 6.87; O, 25.67

Price and Availability

Size Price Availability Quantity
1.0mg USD 90.0 Ready to ship
5.0mg USD 250.0 Ready to ship
10.0mg USD 450.0 Ready to ship
25.0mg USD 950.0 Ready to ship
50.0mg USD 1650.0 Ready to ship
100.0mg USD 2650.0 Ready to ship
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Related CAS #: 96565-55-8 (sodium)   96566-25-5 (free acid)   96686-71-4 (S-isomer)   96686-73-6 (R-isomer)    

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

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

InChi Key: FGGYJWZYDAROFF-UHFFFAOYSA-N

InChi Code: 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)

SMILES Code: O=C(C1CCC2=CC(C(C)=O)=C(OCCCCCOC3=CC=C(C(C)=O)C(O)=C3CCC)C=C2O1)O

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: >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

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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 200.58

Preparing Stock Solutions

The following data is based on the product molecular weight 498.57 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: 1. Rosenbach T, Csatò M, Czarnetzki BM. Studies on the role of leukotrienes in murine allergic and irritant contact dermatitis. Br J Dermatol. 1988 Jan;118(1):1-6. doi: 10.1111/j.1365-2133.1988.tb01743.x. PMID: 2829957. 2. Sun J, Herman CA. Cardiovascular effects of N-methyl leukotriene C4, a nonmetabolizable leukotriene C4 analogue, and the antagonism of leukotriene-induced hypotension by Ro 23-3544, in the American bullfrog, Rana catesbeiana. Can J Physiol Pharmacol. 1995 Mar;73(3):383-9. doi: 10.1139/y95-049. PMID: 7648518.
In vitro protocol: TBD
In vivo protocol: 1. Rosenbach T, Csatò M, Czarnetzki BM. Studies on the role of leukotrienes in murine allergic and irritant contact dermatitis. Br J Dermatol. 1988 Jan;118(1):1-6. doi: 10.1111/j.1365-2133.1988.tb01743.x. PMID: 2829957. 2. Sun J, Herman CA. Cardiovascular effects of N-methyl leukotriene C4, a nonmetabolizable leukotriene C4 analogue, and the antagonism of leukotriene-induced hypotension by Ro 23-3544, in the American bullfrog, Rana catesbeiana. Can J Physiol Pharmacol. 1995 Mar;73(3):383-9. doi: 10.1139/y95-049. PMID: 7648518.

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1: Rosenbach T, Csatò M, Czarnetzki BM. Studies on the role of leukotrienes in murine allergic and irritant contact dermatitis. Br J Dermatol. 1988 Jan;118(1):1-6. PubMed PMID: 2829957.

2: Sun J, Herman CA. Cardiovascular effects of N-methyl leukotriene C4, a nonmetabolizable leukotriene C4 analogue, and the antagonism of leukotriene-induced hypotension by Ro 23-3544, in the American bullfrog, Rana catesbeiana. Can J Physiol Pharmacol. 1995 Mar;73(3):383-9. PubMed PMID: 7648518.

3: Kumar S, Malick AW, Meltzer NM, Mouskountakis JD, Behl CR. Studies of in vitro skin permeation and retention of a leukotriene antagonist from topical vehicles with a hairless guinea pig model. J Pharm Sci. 1992 Jul;81(7):631-4. PubMed PMID: 1403694.

4: Meigel W. Allergic contact dermatitis--description of a test model for topical anti-inflammatories with particular reference to the leukotriene-C4 antagonist Ro-23-3544. Arch Dermatol Res. 1991;283(4):278-9. PubMed PMID: 1929548.

5: O'Donnell M, Welton AF, Crowley H, Brown D, Garippa R, Cohen N, Weber G, Banner B, Lopresti RJ. Pharmacological profile of Ro 23-3544, a new aerosol active leukotriene receptor antagonist. Adv Prostaglandin Thromboxane Leukot Res. 1987;17A:512-8. PubMed PMID: 2821764.

6: Binder D, Koch A, Rovenszky F, Stroissnig H. [Thiophene as a structural element of physiologically active substances. 20. Thiophene analogs of the leukotriene D4 antagonist Ro 23-3544]. Arch Pharm (Weinheim). 1992 Dec;325(12):797-801. German. PubMed PMID: 1489255.