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{1-[({(1R)-1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid

Montelukast

CAS: 158966-92-8

Molecular Formula: C35H36ClNO3S

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{1-[({(1R)-1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid - Names and Identifiers

Name Montelukast
Synonyms Montelukas
Montelukast
Montelukast Acid
Montelukast(Form A)
Montelukast D6 sodium salt (Rac)
(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane bromide
{1-[({(1R)-1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid
(r-(e))-1-(((1-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid
(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid
(1-{[(1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetic acid
2-[1-[[(1r)-1-[3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Cyclopropaneaceticacid,1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]propyl]thio]Methyl]-
2-[1-[[(1R)-1-[3-[(E)-2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
{1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid
CAS 158966-92-8
EINECS 256-723-9
InChI InChI=1/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/t32-/m1/s1

{1-[({(1R)-1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid - Physico-chemical Properties

Molecular FormulaC35H36ClNO3S
Molar Mass586.18
Density1.272±0.06 g/cm3(Predicted)
Melting Point145-148 °C(Solv: toluene (108-88-3); methanol (67-56-1))
Boling Point750.5±60.0 °C(Predicted)
Flash Point407.7°C
Vapor Presure1.17E-23mmHg at 25°C
pKa4.76±0.10(Predicted)
Storage Condition2-8°C
Refractive Index1.677
In vitro study Montelukast (5 μM; 1 h) inhibits APAP-induced cell damage.

{1-[({(1R)-1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid - Preparation Method

Open Data Verified Data

3 [2-(7-monochloro-2-quinolyl) vinyl] Benzaldehyde was dissolved in toluene and a toluene/THF solution of vinyl magnesium bromide was slowly added at 0 °c. The obtained product and LiOAc/2 H2 0, LiCl, Pd( OAc)2 and O-bromobenzoic acid methyl ester were suspended in DMF, the reaction gave methyl 2-[3-[3-[2-(7-chloro-2-quinolinyl) vinyl] phenyl l-3-carbonylpropyl] benzoate. The material was reduced with boride. Further, methylation and etherification are carried out, and addition of dihydropyrrole is carried out, tert-butyl dimethyl silicon is removed under the action of tetrabutylammonium fluoride, and methanesulfonylation is carried out with methanesulfonyl chloride to obtain methanesulfonyl product. The reaction of the methanesulfonylated product with methyl 1-(acetylthiomethyl) cyclopropane acetate yields montelukast via hydrolysis. Montelukast was dissolved in ethanol and an equal amount of sodium hydroxide was added to obtain the monosodium salt of montelukast.

Last Update：2024-01-02 23:10:35

{1-[({(1R)-1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid - Use

Open Data Verified Data

developed by Merck & Co. Inc., USA, was launched in Mexico in 997. Antiasthmatic drugs. Selective leukotriene D4 receptor antagonists.

Last Update：2022-01-01 09:23:06
{1-[({(1R)-1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid
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CAS: 158966-92-8
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Hubei YoungXin Pharmaceutical Tech Co.,Ltd.
Product Name: Montelukast Monomer Request for quotation
Tel: 0714-3999186
Email: 2853786052@qq.com
Mobile: 86+15671228036
QQ: 2853786052 Click to send a QQ message
Wechat: 15671228036
Shanghai Yuanye Bio-Technology Co., Ltd.
Spot supply
Product Name: Montelukast Visit Supplier Webpage Request for quotation
CAS: 158966-92-8
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409 Click to send a QQ message
Wechat: 18301782025
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{1-[({(1R)-1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid
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