MASILUKAST

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H32F3N3O5S
Molecular Weight	615.663
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1CC2=CN(C)C3=C2C=C(C=C3)C(=O)NC[C@H](C)CC(F)(F)F)C(=O)NS(=O)(=O)C4=CC=CC=C4C

InChI

InChIKey=ULMFXAMQUGLVGA-LJQANCHMSA-N

InChI=1S/C31H32F3N3O5S/c1-19(16-31(32,33)34)17-35-29(38)22-11-12-26-25(14-22)24(18-37(26)3)13-21-9-10-23(15-27(21)42-4)30(39)36-43(40,41)28-8-6-5-7-20(28)2/h5-12,14-15,18-19H,13,16-17H2,1-4H3,(H,35,38)(H,36,39)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H32F3N3O5S
Molecular Weight	615.663
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8176706 | https://adisinsight.springer.com/drugs/800015230

Masilukast (ZD 3523) is an antagonist of leukotriene D4 (LTD4). It opposes LTD4-induced bronchoconstriction. It was being developed for the treatment of asthma.

Originator

Approval Year

PubMed

Title	Date	PubMed
Synthesis, structure-activity relationships, and pharmacological evaluation of a series of fluorinated 3-benzyl-5-indolecarboxamides: identification of 4-[[5-[((2R)-2-methyl-4,4,4-trifluorobutyl)carbamoyl]-1-methyl indol- 3-yl]methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]benzamide, a potent, orally active antagonist of leukotrienes D4 and E4.	1994-04-29	8176706

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:37:51 GMT 2025` Edited by `admin` on `Mon Mar 31 18:37:51 GMT 2025`
Record UNII	2QJ3R1H23S
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ICI-D3523

Preferred Name

English

MASILUKAST

Official Name

English

SA-09012

Code

English

3-((2-METHOXY-4-(((2-METHYLPHENYL)SULFONYL)CARBAMOYL)PHENYL)METHYL)-1-METHYL-N-((2R)-4,4,4-TRIFLUORO-2-METHYLBUTYL)-1H-INDOLE-5-CARBOXAMIDE

Systematic Name

English

ZD-3523

Common Name

English

MCC-847

Code

English

SA09012

Code

English

3-(2-METHOXY-4-(2-TOLYLSULFONYL-CARBAMOYL)BENZYL)-1-METHYL-N-(4,4,4-TRIFLUORO-2-METHYLBUTYL)INDOLE-5-CARBOXAMIDE, L-

Common Name

English

masilukast [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29712