MRS-1191

Base Information

• Chemical Name: MRS-1191
• CAS No.: 185222-90-6
• Molecular Formula: C31H27NO4
• Molecular Weight: 477.55
• Mol file: 185222-90-6.mol

Synonyms:MRS1191;

Chemical Property of MRS-1191

Chemical Property:

• Vapor Pressure: 5.25E-16mmHg at 25°C
• Boiling Point: 634.6°C at 760 mmHg
• PKA: 1.54±0.70(Predicted)
• Flash Point: 337.6°C
• PSA: 64.63000
• Density: 1.25g/cm³
• LogP: 5.18800
• Storage Temp.: −20°C
• Solubility.: DMSO: >10 mg/mL

Purity/Quality:

98%,99%, ^*data from raw suppliers

MRS 1191 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: MRS 1191 is a 6-Phenyl-1,4-Dihydropyridine derivative as an adenoside A3 receptor antagonist.

Technology Process of MRS-1191

There total 7 articles about MRS-1191 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: 42.0%

ethanol (64-17-5) + 5-benzyl 3-(2'R,3'R)-(4-benzyloxy-2,3-dihydroxy-1-butyl) 4-(R)-2-methyl-6-phenyl-4-phenylethynyl-1,4-dihydropyridine-3,5-dicarboxylate (244765-83-1) → (+)-MRS 1191 (185222-90-6)

Guidance literature:

With sodium hydroxide; for 72h; Ambient temperature;

DOI:10.1021/jm980688e

Reference yield: 31.0%

Phenylpropargyl aldehyde (2579-22-8) + benzyl benzoylacetate (63888-22-2) + ethyl (E)-3-aminobut-2-enoate (41867-20-3) → MRS-1191 (185222-90-6)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/jm960457c

Reference yield: 11.0%

ethanol (64-17-5) + 5-benzyl 3-(2'R,3'R)-(4-benzyloxy-2,3-dihydroxy-1-butyl) 4-(S)-2-methyl-6-phenyl-4-phenylethynyl-1,4-dihydropyridine-3,5-dicarboxylate → (-)-MRS 1191 (185222-90-6)

Guidance literature:

With sodium hydroxide; for 72h; Ambient temperature;

DOI:10.1021/jm980688e

upstream raw materials:

Phenylpropargyl aldehyde

benzyl benzoylacetate

ethyl (E)-3-aminobut-2-enoate

ethanol

Refernces

• 1、 Jiang, Ji-Long,Van Rhee, A. Michiel,Chang, Louis,Patchornik, Abraham,Ji, Xiao-Duo,Evans, Patricia,Melman, Neli,Jacobson, Kenneth A.. "Structure-activity relationships of 4-(phenylethynyl)-6-phenyl-1,4- dihydropyridines as highly selective A3 adenosine receptor antagonists". . p. 2596 - 2608. Retrieved 2007/10/03.