Cyclopentaneacetamide, N-((1S)-4-((aminoiminomethyl)amino)-1-(((2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)amino)carbonyl)butyl)-1-(2-(4-(6,11-dihydro-6-oxo-5H-dibenz(b,E)azepin-11-yl)-1-piperazinyl)-2-oxoethyl)-

Base Information

Chemical Name:Cyclopentaneacetamide, N-((1S)-4-((aminoiminomethyl)amino)-1-(((2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)amino)carbonyl)butyl)-1-(2-(4-(6,11-dihydro-6-oxo-5H-dibenz(b,E)azepin-11-yl)-1-piperazinyl)-2-oxoethyl)-
CAS No.:246146-55-4
Molecular Formula:C₄₉H₅₇N₁₁O₆
Molecular Weight:896.062
Hs Code.:
UNII:N3Z657H81X
DSSTox Substance ID:DTXSID40179360
Wikipedia:BIIE-0246
Wikidata:Q4835683
Pharos Ligand ID:LFZAF22JUMAY
ChEMBL ID:CHEMBL540989
Mol file:246146-55-4.mol

Cyclopentaneacetamide, N-((1S)-4-((aminoiminomethyl)amino)-1-(((2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)amino)carbonyl)butyl)-1-(2-(4-(6,11-dihydro-6-oxo-5H-dibenz(b,E)azepin-11-yl)-1-piperazinyl)-2-oxoethyl)-

Synonyms:BIIE 0246;BIIE-0246;BIIE0246;cyclopentaneacetamide, N-((1S)-4-((aminoiminomethyl)amino)-1-(((2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)amino)carbonyl)butyl)-1-(2-(4-(6,11-dihydro-6-oxo-5H-dibenz(b,e)azepin-11-yl)-1-piperazinyl)-2-oxoethyl)-;N(2)-((1-(2-(4-(5,11-dihydro-6(6H)-oxodibenz(b,e)azepin-11-yl)-1-piperazinyl)-2-oxoethyl)cyclopentyl)acetyl)-N-(2-(1,2-dihydro-3,5(4H)-dioxo-1,2-diphenyl-3H-1,2,4-triazol-4-yl)ethyl)argininamide

Suppliers and Price of Cyclopentaneacetamide, N-((1S)-4-((aminoiminomethyl)amino)-1-(((2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)amino)carbonyl)butyl)-1-(2-(4-(6,11-dihydro-6-oxo-5H-dibenz(b,E)azepin-11-yl)-1-piperazinyl)-2-oxoethyl)-

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
BIIE0246
0.5mg
$ 200.00

ChemScene
BIIE-0246 >99.0%
1mg
$ 210.00

ApexBio Technology
BIIE0246
1mg
$ 251.00

American Custom Chemicals Corporation
BIIE-0246 95.00%
5MG
$ 503.84

Total 8 raw suppliers

Chemical Property of Cyclopentaneacetamide, N-((1S)-4-((aminoiminomethyl)amino)-1-(((2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)amino)carbonyl)butyl)-1-(2-(4-(6,11-dihydro-6-oxo-5H-dibenz(b,E)azepin-11-yl)-1-piperazinyl)-2-oxoethyl)-

Chemical Property:

PKA:13.28±0.40(Predicted)
PSA：221.68000
Density:1.388g/cm³
LogP:5.48080
Storage Temp.:Store at +4°C
Solubility.:<67.2mg/ml in DMSO; <23.55mg/ml in ethanol
XLogP3:3.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:16
Exact Mass:895.44932858
Heavy Atom Count:66
Complexity:1710

Purity/Quality:

97% ^*data from raw suppliers

BIIE0246 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68
Isomeric SMILES:C1CCC(C1)(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68
Uses BIIE 0246, is a selective non-peptide antagonist which binds to the neuropeptide NPY2-R in a competitive manner. Studies have also shown that BIIE 0246 is highly lipophilic and as a result BIIE 0246 builds up at membranes near the receptors.

Technology Process of Cyclopentaneacetamide, N-((1S)-4-((aminoiminomethyl)amino)-1-(((2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)amino)carbonyl)butyl)-1-(2-(4-(6,11-dihydro-6-oxo-5H-dibenz(b,E)azepin-11-yl)-1-piperazinyl)-2-oxoethyl)-

There total 9 articles about Cyclopentaneacetamide, N-((1S)-4-((aminoiminomethyl)amino)-1-(((2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl)amino)carbonyl)butyl)-1-(2-(4-(6,11-dihydro-6-oxo-5H-dibenz(b,E)azepin-11-yl)-1-piperazinyl)-2-oxoethyl)- 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:

: 161422-37-3
4-(2-aminoethyl)-1,2-diphendiphenyl-1,2,4-triazolidine-3,5-dione

: 245725-15-9
C₂₇H₃₁N₃O₄

: N^α-Fmoc-Arg(N^g-Pbf)-OH

: 246146-55-4
(S)-N²-[[1-[2-[4-[(R,S)-5,11-dihydro6(6h)-oxodibenz[b,e]azepin-11-yl]-1-piperazinyl]-2-oxo-ethyl]-cyclopentyl]acetyl]-N-[2-[1,2-dihydro-3,5(4H)-dioxo-1,2-diphenyl-3H-1,2,4-triazol-4-yl]ethyl]-argininamid

Guidance literature:: 4-(2-aminoethyl)-1,2-diphendiphenyl-1,2,4-triazolidine-3,5-dione; N^α-Fmoc-Arg(N^g-Pbf)-OH; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;

With diethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

C₂₇H₃₁N₃O₄; Further stages;
DOI:10.1002/cmdc.201100241

Reference yield:

: 149192-17-6
11-(piperazin-1-yl)-5,11-dihydrodibenzo[b,e]azepin-6-one

: 246146-55-4
(S)-N²-[[1-[2-[4-[(R,S)-5,11-dihydro6(6h)-oxodibenz[b,e]azepin-11-yl]-1-piperazinyl]-2-oxo-ethyl]-cyclopentyl]acetyl]-N-[2-[1,2-dihydro-3,5(4H)-dioxo-1,2-diphenyl-3H-1,2,4-triazol-4-yl]ethyl]-argininamid

Guidance literature:: Multi-step reaction with 2 steps

1.1: dichloromethane / 18 h / 20 °C

2.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 16 h / 0 - 20 °C

2.2: 0.17 h / 20 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/cmdc.201100241

Reference yield:

: 246146-15-6
C₂₄H₁₈N₄O₄

: 246146-55-4
(S)-N²-[[1-[2-[4-[(R,S)-5,11-dihydro6(6h)-oxodibenz[b,e]azepin-11-yl]-1-piperazinyl]-2-oxo-ethyl]-cyclopentyl]acetyl]-N-[2-[1,2-dihydro-3,5(4H)-dioxo-1,2-diphenyl-3H-1,2,4-triazol-4-yl]ethyl]-argininamid

Guidance literature:: Multi-step reaction with 2 steps

1.1: hydrazine hydrate / tetrahydrofuran; methanol / 16 h

1.2: 2 h / 20 °C

2.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 16 h / 0 - 20 °C

2.2: 0.17 h / 20 °C

With benzotriazol-1-ol; hydrazine hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1002/cmdc.201100241