2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide

Base Information

Chemical Name:2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide
CAS No.:199800-49-2
Molecular Formula:C31H36N4O5
Molecular Weight:544.6413
Hs Code.:
DSSTox Substance ID:DTXSID40430968
Nikkaji Number:J1.115.116G
Wikidata:Q27074328
Pharos Ligand ID:GZ7TFZ2B9MBV
Mol file:199800-49-2.mol

Synonyms:3R-1-(2,2-diethoxyethyl)-3-((4-methylphenyl)aminocarbonylmethyl)-3-((4-methylphenyl)ureido)-indoline-2-one;AG-041R

Suppliers and Price of 2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)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
AG-041R
2.5mg
$ 130.00

AK Scientific
CID9807431
5mg
$ 318.00

Total 2 raw suppliers

Chemical Property of 2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:766.592°C at 760 mmHg
Flash Point:417.42°C
PSA：109.00000
Density:1.259g/cm³
LogP:5.69680
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:544.26857026
Heavy Atom Count:40
Complexity:849

Purity/Quality:

97% ^*data from raw suppliers

AG-041R ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(CN1C2=CC=CC=C2C(C1=O)(CC(=O)NC3=CC=C(C=C3)C)NC(=O)NC4=CC=C(C=C4)C)OCC
Isomeric SMILES:CCOC(CN1C2=CC=CC=C2[C@@](C1=O)(CC(=O)NC3=CC=C(C=C3)C)NC(=O)NC4=CC=C(C=C4)C)OCC
Uses AG-041R is a potent gastrin/CCKB receptor antagonist that exhibits selective binding for CCKB compared to CCKA.

Technology Process of 2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)acetamide

There total 30 articles about 2-[(3R)-1-(2,2-diethoxyethyl)-3-[(4-methylphenyl)carbamoylamino]-2-oxoindol-3-yl]-N-(4-methylphenyl)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: 91.0%

: 159884-50-1
[1-(2,2-diethoxy-ethyl)-2-oxo-3-(3-p-tolyl-ureido)-2,3-dihydro-1H-indol-3-yl]-acetic acid

: 106-49-0,12221-03-3
p-toluidine

: 199800-49-2
AG 041R

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 0 - 20 ℃; for 5.5h;
DOI:10.1021/jo061541v

Reference yield: 81.0%

: 1188395-65-4
(R)-1-(2,2-diethoxyethyl)-1′-(p-tolyl)-1′H-spiro[indoline-3,4′-pyrimidine]-2,2′,6′(3′H,5′H)-trione

: 106-49-0,12221-03-3
p-toluidine

: 199800-49-2
AG 041R

Guidance literature:: (R)-1-(2,2-diethoxyethyl)-1′-(p-tolyl)-1′H-spiro[indoline-3,4′-pyrimidine]-2,2′,6′(3′H,5′H)-trione; With potassium hydroxide; In ethanol; water; at 0 - 20 ℃; Inert atmosphere;

p-toluidine; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 ℃; for 0.666667h; Inert atmosphere;
DOI:10.1021/jo901352u