N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide

Base Information

Chemical Name:N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide
CAS No.:915191-42-3
Molecular Formula:C₃₂H₃₃N₃O₇S
Molecular Weight:603.696
Hs Code.:
UNII:6K32LCR80R
ChEMBL ID:CHEMBL402162
DSSTox Substance ID:DTXSID701347905
Pharos Ligand ID:PY1RUP811ZHK
Wikidata:Q27086022
Mol file:915191-42-3.mol

Synonyms:MF 498;MF-498;MF498 cpd;N-((4-(5,9-diethoxy-6-oxo-6,8-dihydro-7H-pyrrolo(3,4-g)quinolin-7-yl)-3-methylbenzyl)sulfonyl)-2-(2-methoxyphenyl)acetamide

Suppliers and Price of N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)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

Usbiological
MF 498
100mg
$ 566.00

TRC
MF498
250mg
$ 545.00

TRC
MF498
100mg
$ 235.00

TRC
MF498
500mg
$ 1055.00

DC Chemicals
MF498 >98%
1 g
$ 2500.00

DC Chemicals
MF498 >98%
250 mg
$ 1350.00

DC Chemicals
MF498 >98%
100 mg
$ 700.00

Crysdot
MF498 98+%
5mg
$ 177.00

Crysdot
MF498 98+%
10mg
$ 316.00

ChemScene
MF498 98.90%
5mg
$ 276.00

Total 8 raw suppliers

Chemical Property of N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide

Chemical Property:

PSA：136.00000
LogP:6.68440
Solubility.:≤10mg/ml in DMSO;10mg/ml in dimethyl formamide
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:603.20392157
Heavy Atom Count:43
Complexity:1070

Purity/Quality:

97% ^*data from raw suppliers

MF 498 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1=C2CN(C(=O)C2=C(C3=C1N=CC=C3)OCC)C4=C(C=C(C=C4)CS(=O)(=O)NC(=O)CC5=CC=CC=C5OC)C
Uses MF498 is a selective EP4, a Gs protein-coupled receptor, receptor antagonist. In HEK293 cells expressing the human EP4 receptor, MF498 inhibits E prostanoid (EP) ligand induced activity.

Technology Process of N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)acetamide

There total 9 articles about N-[[4-(5,9-diethoxy-6-oxo-8H-pyrrolo[3,4-g]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-methoxyphenyl)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: 94.0%

: 915192-28-8
C₂₃H₂₅N₃O₅S

: 93-25-4
2-methoxyphenylacetic acid

: 915191-42-3
MF 498

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; for 20h; Heating / reflux;

Reference yield:

: 915192-23-3
C₁₂H₁₈N₂O₄S

: 915191-42-3
MF 498

Guidance literature:: Multi-step reaction with 5 steps

1.1: hydrogen / palladium dihydroxide / ethanol; ethyl acetate / 2 h / 2585.81 Torr

2.1: acetic acid / 17 h / Heating / reflux

3.1: sodium tetrahydroborate / tetrahydrofuran; methanol / 1 h / 0 °C

4.1: triethylsilane; trifluoroacetic acid / dichloromethane / 17 h / 20 °C

4.2: 0.08 - 0.17 h

5.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 h / Heating / reflux

With triethylsilane; dmap; sodium tetrahydroborate; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; palladium dihydroxide; In tetrahydrofuran; methanol; ethanol; dichloromethane; acetic acid; ethyl acetate;

Reference yield:

: 684287-56-7
5,8-dihydroxy-quinoline-6,7-dicarboxylic acid dimethyl ester

: 915191-42-3
MF 498

Guidance literature:: Multi-step reaction with 7 steps

1.1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 70 °C

2.1: methanol; sodium hydroxide; water / tetrahydrofuran / 1 h / 55 °C

3.1: acetic anhydride / 2 h / Heating / reflux

4.1: acetic acid / 17 h / Heating / reflux

5.1: sodium tetrahydroborate / tetrahydrofuran; methanol / 1 h / 0 °C

6.1: triethylsilane; trifluoroacetic acid / dichloromethane / 17 h / 20 °C

6.2: 0.08 - 0.17 h

7.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 h / Heating / reflux

With methanol; triethylsilane; dmap; sodium hydroxide; sodium tetrahydroborate; water; acetic anhydride; potassium carbonate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; acetic acid; N,N-dimethyl-formamide;