N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide

Base Information

Chemical Name:N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
CAS No.:264622-53-9
Molecular Formula:C₂₇H₂₉N₅O₅
Molecular Weight:503.558
Hs Code.:
UNII:YEE5LME5K5
ChEMBL ID:CHEMBL17002
DSSTox Substance ID:DTXSID40408687
Nikkaji Number:J1.293.761J
Pharos Ligand ID:LDKB9DJ6GDCK
Wikidata:Q6592650
Wikipedia:MRS-1706
Mol file:264622-53-9.mol

Synonyms:MRS 1706;MRS-1706;MRS1706;N-(4-acetylphenyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)acetamide

Suppliers and Price of N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
MRS1706
100mg
$ 475.00

Tocris
MRS1706 ≥96%(HPLC)
50
$ 794.00

Tocris
MRS1706 ≥96%(HPLC)
10
$ 189.00

DC Chemicals
MRS-1706 >98%
1 g
$ 2600.00

DC Chemicals
MRS-1706 >98%
250 mg
$ 1300.00

DC Chemicals
MRS-1706 >98%
100 mg
$ 650.00

CSNpharm
MRS1706
50mg
$ 510.00

CSNpharm
MRS1706
5mg
$ 77.00

CSNpharm
MRS1706
10mg
$ 128.00

ChemScene
MRS-1706 98.06%
50mg
$ 600.00

Total 10 raw suppliers

Chemical Property of N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide

Chemical Property:

PKA:8.25±0.70(Predicted)
PSA：128.08000
Density:1.293±0.06 g/cm3(Predicted)
LogP:3.66640
Storage Temp.:Store at +4°C
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:503.21686904
Heavy Atom Count:37
Complexity:837

Purity/Quality:

97% ^*data from raw suppliers

MRS1706 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)C
Description MRS1706 is a selective adenosine A2B receptor inverse agonist with Ki values of 1.39, 157, 112, and 230 nM for human A2B, A1, A2A, and A3 receptors, respectively.
Uses MRS 1706 is a selective and potent Adenosine A2B-R inverse agonist Ki (binding affinity) values of 1.39, 157, 112, and 230 nM for human A2B, A1, A2A, and A3 receptors, respectively.

Technology Process of N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide

There total 1 articles about N-(4-acetylphenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide 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: 29.0%

: 99-92-3
p-aminobenzophenone

: 96865-83-7
8-[4-[(2-carboxymethyl)oxy]phenyl]-1,3-dipropylxanthine

: 264622-53-9
MRS 1706

Guidance literature:: With bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine; In dichloromethane; at 20 ℃; for 24h;
DOI:10.1021/jm990421v