MK-7246

Base Information

• Chemical Name: MK-7246
• CAS No.: 1218918-62-7
• Molecular Formula: C21H21FN2O4S
• Molecular Weight: 416.473
• Mol file: 1218918-62-7.mol

Synonyms:Pyrido(1,2-a)indole-10-acetic acid,7-(((4-fluorophenyl)sulfonyl)methylamino)-6,7,8,9-tetrahydro-,(7R);[(7R)-7-[[(4-fluorophenyl)sulfonyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid;6H,7H,8H,9H-pyrido[1,2-a]indol-10-yl]acetic acid;2-[(7R)-7-(N-methyl4-fluorobenzenesulfonamido);[3H]-2-[(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid;(+)-{7R-[[(4-fluorophenyl)sulfonyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid;

Chemical Property of MK-7246

Chemical Property:

• Boiling Point: 636.5±65.0 °C(Predicted)
• PKA: 4.50±0.10(Predicted)
• PSA: 87.99000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 4.12380

Purity/Quality:

99%+, ^*data from raw suppliers

MK-7246 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: MK-7246 is a potent and selective CRTH2 antagonist for the treatment of respiratory diseases.

Technology Process of MK-7246

There total 22 articles about MK-7246 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

methyl [(7R)-7-[[(4-fluorophenyl)sulfonyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetate (1218918-65-0) → [3H]-MK-7246 (1218918-62-7)

Guidance literature:

methyl [(7R)-7-[[(4-fluorophenyl)sulfonyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetate; With water; lithium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 2h;

In tetrahydrofuran; methanol; water; pH=2; Product distribution / selectivity; Aqueous phosphate buffer;

Reference yield: 99.0%

ethyl [(7R)-7-[[(4-fluorophenyl)sulfonyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetate (1360470-79-6) → [3H]-MK-7246 (1218918-62-7)

Guidance literature:

ethyl [(7R)-7-[[(4-fluorophenyl)sulfonyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetate; With lithium hydroxide; In tetrahydrofuran; water; at 15 - 20 ℃; for 4.25h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; for 2h; pH=2.5 - 3.5; Inert atmosphere;

DOI:10.1021/jo202620r

Reference yield:

propyl {(7R)-7-{[(4-fluorophenyl)sulfonyl](methyl)amino}-6,7,8,9-tetrahydro-pyrido[1,2-a]indol-10-yl}acetate (1218918-75-2) → [3H]-MK-7246 (1218918-62-7)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; isopropyl alcohol;

DOI:10.1016/j.bmcl.2010.11.015

upstream raw materials:

methyl [(7R)-7-[[(4-fluorophenyl)sulfonyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetate

propyl {(7R)-7-{[(4-fluorophenyl)sulfonyl](methyl)amino}-6,7,8,9-tetrahydro-pyrido[1,2-a]indol-10-yl}acetate

dimethyl (2R)-2-[[(4-fluorophenyl)sulfonyl]amino]-butanedioate

N-[(2R)-1,4-dihydroxybutan-2-yl]-4-fluorobenzenesulfonamide

Refernces

• 1、 Molinaro, Carmela,Bulger, Paul G.,Lee, Ernest E.,Kosjek, Birgit,Lau, Stephen,Gauvreau, Danny,Howard, Melissa E.,Wallace, Debra J.,O'Shea, Paul D.. "CRTH2 antagonist MK-7246: A synthetic evolution from discovery through development". supporting information; experimental part. p. 2299 - 2309. Retrieved 2012/05/20.