1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)-1-(phenylmethyl)ethyl)-

Base Information

Chemical Name:1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)-1-(phenylmethyl)ethyl)-
CAS No.:233277-99-1
Molecular Formula:C₃₂H₃₈N₄O₄S
Molecular Weight:574.744
Hs Code.:
UNII:320A4L58IZ
Nikkaji Number:J1.444.376B
Wikidata:Q27256108
Pharos Ligand ID:BDG5U2XTHWM9
ChEMBL ID:CHEMBL91704

Synonyms:4-methyl-N-((S)-1-oxo-3-phenyl-1-(((S)-1-phenyl-5- (phenylsulfonyl)pentan-3-yl)amino)propan-2-yl)piperazine-1-carboxamide;4-methylpiperazine-1-carboxylic acid(1-((3-benzenesufonyl-1-phenethylallyl)carbamoyl)-2-phenylethyl)amide;APC 3316;APC-3316;APC3316;CRA 3316;CRA-3316;CRA3316;K-1177;K-11777;K-777 cpd;K1177;K11777;K777 cpd;N-Pip-F-hF-VS Phenyl;N-pip-phenylalanine-homophenylalanine-vinyl sulfone phenyl;SLV-213;SLV213

Suppliers and Price of 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)-1-(phenylmethyl)ethyl)-

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

ChemScene
K777 99.14%
5mg
$ 480.00

Adipogen Life Sciences
K777[K11777] ≥98%(NMR)
1 mg
$ 40.00

Total 5 raw suppliers

Chemical Property of 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)-1-(phenylmethyl)ethyl)-

Chemical Property:

Boiling Point:861.0±65.0 °C(Predicted)
PKA:12.48±0.20(Predicted)
Density:1.217±0.06 g/cm3(Predicted)
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:574.26137688
Heavy Atom Count:41
Complexity:939

Purity/Quality:

97% ^*data from raw suppliers

K777 99.14% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC3=CC=CC=C3)C=CS(=O)(=O)C4=CC=CC=C4
Isomeric SMILES:CN1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC3=CC=CC=C3)/C=C/S(=O)(=O)C4=CC=CC=C4
Recent ClinicalTrials:SLV213 Treatment in Ambulatory COVID-19 Patients

Technology Process of 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)-1-(phenylmethyl)ethyl)-

There total 61 articles about 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)-1-(phenylmethyl)ethyl)- 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: 45.0%

: 115766-11-5
N-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalanine

: (S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-aminium 2,2,2-trifluoroacetate

: 233277-99-1
4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-(S)-3-benzenesulfonyl-1-phenethyl-allylcarbamoyl)-2-phenyl-ethyl]-amide

Guidance literature:: N-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalanine; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 0.166667h; Inert atmosphere;

(S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-aminium 2,2,2-trifluoroacetate; In N,N-dimethyl-formamide; at 20 ℃; for 21h; Inert atmosphere;
DOI:10.1039/c1cc16178d

Reference yield: 32.2%

: 216656-61-0
C₂HF₃O₂*C₁₇H₁₉NO₂S

: 115766-11-5
N-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalanine

: 233277-99-1
K-777

Guidance literature:: N-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalanine; With 4-methyl-morpholine; In tetrahydrofuran; N,N-dimethyl-formamide; at -10 ℃; for 0.333333h;

With isobutyl chloroformate; In tetrahydrofuran; N,N-dimethyl-formamide; at -5 ℃; for 1h;

C₂HF₃O₂*C₁₇H₁₉NO₂S; In tetrahydrofuran; N,N-dimethyl-formamide; at -10 - 20 ℃;
DOI:10.3109/14756366.2011.651466

Reference yield: 22.0%

: C₁₇H₁₉NO₂S*C₂HF₃O₂

: 115766-11-5
N-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalanine

: 233277-99-1
4-methyl-N-((2S)-1-oxo-3-phenyl-1-(((E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)amino)propan-2-yl)piperazine-1-carboxamide

Guidance literature:: N-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalanine; With 4-methyl-morpholine; isobutyl chloroformate; In tetrahydrofuran; N,N-dimethyl-formamide; at -10 - -5 ℃; for 1.35h;

C₁₇H₁₉NO₂S*C₂HF₃O₂; With 4-methyl-morpholine; In tetrahydrofuran; N,N-dimethyl-formamide; at -10 - 20 ℃;
DOI:10.3109/14756366.2011.651466