Merck-22-6

Base Information

Chemical Name:Merck-22-6
CAS No.:612847-42-4
Molecular Formula:C40H43N7O2
Molecular Weight:653.82
Hs Code.:
DSSTox Substance ID:DTXSID50437084
ChEMBL ID:CHEMBL258696
Mol file:612847-42-4.mol

Synonyms:Merck-22-6;612847-42-4;Akt1/Akt2-IN-2;CHEMBL258696;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-(2-(Diethylamino)ethyl)-3-(4-((4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)methyl)phenyl)-2-phenylquinoxaline-6-carboxamide;SCHEMBL5310814;DTXSID50437084;HBCHTLGWXPVWDF-UHFFFAOYSA-N;BDBM50373459;NCGC00345840-01;NCGC00345840-02;HY-129119;CS-0103712;A899822;N-[2-(diethylamino)ethyl]-3-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]methyl}phenyl)-2-phenylquinoxaline-6-carboxamide;n-[2-(diethylamino)ethyl]-3-(4-{[4-(2-oxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-2-phenylquinoxaline-6-carboxamide

Suppliers and Price of Merck-22-6

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

Total 4 raw suppliers

Chemical Property of Merck-22-6

Chemical Property:

PSA：102.90000
LogP:7.44050
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:653.34782364
Heavy Atom Count:49
Complexity:1060

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCN(CC)CCNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=C(C=C3)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O)C7=CC=CC=C7

Technology Process of Merck-22-6

There total 2 articles about Merck-22-6 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:

: 612847-29-7
3-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-2-phenylquinoxaline-6-carboxylic Acid

: 612847-31-1
2-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-3-phenylquinoxaline-6-carboxylic acid

: PS-carbodiimide

: 100-36-7
N,N-diethylethylenediamine

: 612847-42-4
N-[2-(diethylamino)ethyl]-3-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-2-phenylquinoxaline-6-carboxamide

Guidance literature:: With benzotriazol-1-ol; In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; N-ethyl-N,N-diisopropylamine;

Reference yield:

: 100-36-7
N,N-diethylethylenediamine

: 619-05-6
3,4-diaminobenzoic acid

: 612848-74-5
1-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-2-phenylethane-1,2-dione

: 612847-42-4
N-[2-(diethylamino)ethyl]-3-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-2-phenylquinoxaline-6-carboxamide

: 612847-43-5
N-[2-(diethylamino)ethyl]-2-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-3-phenylquinoxaline-6-carboxamide

Guidance literature:: 3,4-diaminobenzoic acid; 1-(4-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]methyl}phenyl)-2-phenylethane-1,2-dione; With acetic acid; In ethanol; at 160 ℃; for 0.166667h; microwave irradiation;

N,N-diethylethylenediamine; With PS-DCC; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; In dichloromethane; Further stages.;
DOI:10.1016/j.bmcl.2007.11.015