CAS 96566-25-5|Ablukast

Introduction：Basic information about CAS 96566-25-5|Ablukast, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Ablukast BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Ablukast
CAS Number	96566-25-5	Molecular Weight	498.56500
Density	1.219g/cm3	Boiling Point	730.8ºC at 760mmHg
Molecular Formula	C₂₈H₃₄O₈	Melting Point	/
MSDS	/	Flash Point	240.9ºC

Names

Name	6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
Synonym	More Synonyms

Ablukast BiologicalActivity

Description	Ablukast (Ro 23-3544) is a specific and active leukotriene receptor antagonist. Ablukast effectively reduces LTC4- and antigen-induced bronchoconstriction[1][2]. Ablukast is LTD4 receptor antagonist[3].
Related Catalog	Signaling Pathways >>GPCR/G Protein >>Leukotriene ReceptorResearch Areas >>Inflammation/Immunology
Target	LTD4
In Vitro	Ablukast (Ro 23-3544) is tested for its efficacy in modulating dinitrofluorobenzene (DNFB)-induced allergic and croton oil-induced irritant contact dermatitis in mouse ears. Treatment shortly after elicitation of the dermatitis, and for up to 5 days thereafter, was moderately effective in suppressing DNFB-induced ear swelling in a dose-dependent fashion. Daily pre-treatment of the ears for 1 week causes a more marked reduction of DNFB-induced ear swelling during the first 48 h after elicitation[2].
In Vivo	Ablukast (Ro 23-3544) is tested for its efficacy in modulating dinitrofluorobenzene (DNFB)-induced allergic and croton oil-induced irritant contact dermatitis in mouse ears. Treatment shortly after elicitation of the dermatitis, and for up to 5 days thereafter, was moderately effective in suppressing DNFB-induced ear swelling in a dose-dependent fashion. Daily pre-treatment of the ears for 1 week causes a more marked reduction of DNFB-induced ear swelling during the first 48 h after elicitation[2]. Animal Model: Female BALB/c mice[2] Dosage: Concentrations of 0.1 , 0.5 , 1.0 and 5.0 % of Ablukast Administration: Applied to one of the pretreated ears 1 h after elicitation and at 24 h intervals on the following 4 days; three times daily Result: Effectively reduced DNFB-induced ear swelling.
References	[1]. M O'Donnell, et al. Pharmacological profile of Ro 23-3544, a new aerosol active leukotriene receptor antagonist. Adv Prostaglandin Thromboxane Leukot Res. 1987;17A:512-8. [2]. T Rosenbach, et al. Studies on the role of leukotrienes in murine allergic and irritant contact dermatitis. Br J Dermatol. 1988 Jan;118(1):1-6. [3]. Hans-Michael Eggenweiler, et al. Pyrrolopyrimidines as phosphodiesterase VII inhibitors. US7498334B2.

Chemical & Physical Properties

Density	1.219g/cm3
Boiling Point	730.8ºC at 760mmHg
Molecular Formula	C₂₈H₃₄O₈
Molecular Weight	498.56500
Flash Point	240.9ºC
Exact Mass	498.22500
PSA	119.36000
LogP	5.15620
Index of Refraction	1.567
InChIKey	FGGYJWZYDAROFF-UHFFFAOYSA-N
SMILES	CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CCC(C(=O)O)O3)ccc(C(C)=O)c1O

Synonyms

rac-6-acetyl-7-<<5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl>oxy>-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

Ablukast

4-dihydro-2H-1-benzopyran-2-carboxylic acid

Ablukastum

7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)-pentyloxy]-6-acetyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

6-acetyl-7-<5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyloxy>-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid

UNII-000TKM5BBQ

Ro-23-3544

Ablukast (USAN/INN)

Ablukastum [INN-Latin]

7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)-pentyloxy]-6-acetyl-3

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