5-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1,3,4-benzotriazepin-3-yl]acetyl]amino]-1H-indazole-1-acetic acid

Base Information

Chemical Name:5-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1,3,4-benzotriazepin-3-yl]acetyl]amino]-1H-indazole-1-acetic acid
CAS No.:528884-69-7
Molecular Formula:C31H36N6O5
Molecular Weight:572.664
Hs Code.:
ChEMBL ID:CHEMBL389933
DSSTox Substance ID:DTXSID501101935

Synonyms:CHEMBL389933;SCHEMBL3911524;DTXSID501101935;BDBM50002900;5-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1,3,4-benzotriazepin-3-yl]acetyl]amino]-1H-indazole-1-acetic acid;528884-69-7

Suppliers and Price of 5-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1,3,4-benzotriazepin-3-yl]acetyl]amino]-1H-indazole-1-acetic acid

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 0 raw suppliers

Chemical Property of 5-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1,3,4-benzotriazepin-3-yl]acetyl]amino]-1H-indazole-1-acetic acid

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:572.27471827
Heavy Atom Count:42
Complexity:1070

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC4=C(C=C3)N(N=C4)CC(=O)O)C5CCCCC5

Technology Process of 5-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1,3,4-benzotriazepin-3-yl]acetyl]amino]-1H-indazole-1-acetic acid

There total 11 articles about 5-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-1,2-dihydro-2-oxo-3H-1,3,4-benzotriazepin-3-yl]acetyl]amino]-1H-indazole-1-acetic acid 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: 100.0%

: 942232-24-8
C₃₂H₃₈N₆O₅

: 528884-69-7
(5-(2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetylamino)-indazol-1-yl)-acetic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 16h;
DOI:10.1021/jm070139l

Reference yield:

: 528882-09-9
(5-cyclohexyl-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid ethyl ester

: 528884-69-7
(5-(2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetylamino)-indazol-1-yl)-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: NaH / dimethylformamide / 0.5 h / 20 °C

1.2: 84 percent / dimethylformamide / 2 h / 20 °C

2.1: 95 percent / aq. NaOH / ethanol / 16 h / 20 °C

3.1: 66 percent / HOBt; DMAP; EDCI / dimethylformamide / 16 h / 20 °C

4.1: 100 percent / aq. LiOH / tetrahydrofuran / 16 h / 20 °C

With dmap; lithium hydroxide; sodium hydroxide; sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm070139l

Reference yield:

: 528882-12-4
(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid

: 528884-69-7
(5-(2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetylamino)-indazol-1-yl)-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 66 percent / HOBt; DMAP; EDCI / dimethylformamide / 16 h / 20 °C

2: 100 percent / aq. LiOH / tetrahydrofuran / 16 h / 20 °C

With dmap; lithium hydroxide; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm070139l