3-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)propanamide

Base Information

Chemical Name:3-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)propanamide
CAS No.:268221-76-7
Molecular Formula:C₈H₁₃N₃O₃
Molecular Weight:199.21
Hs Code.:29339900
DSSTox Substance ID:DTXSID80429391
Nikkaji Number:J2.705.768C
ChEMBL ID:CHEMBL4475909
Mol file:268221-76-7.mol

Synonyms:268221-76-7;3-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)propanamide;CYCLO(-ALA-GLN);3-[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]propanamide;Cyclo(L-Ala-L-Gln-);CHEMBL4475909;DTXSID80429391;MFCD05663453;AKOS006293956

Suppliers and Price of 3-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)propanamide

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
Cyclo(-Ala-Gln)
100mg
$ 1200.00

Biosynth Carbosynth
Cyclo(-Ala-Gln)
250 mg
$ 757.50

Biosynth Carbosynth
Cyclo(-Ala-Gln)
100 mg
$ 379.00

Biosynth Carbosynth
Cyclo(-Ala-Gln)
50 mg
$ 218.00

Biosynth Carbosynth
Cyclo(-Ala-Gln)
25 mg
$ 125.00

Biosynth Carbosynth
Cyclo(-Ala-Gln)
500 mg
$ 1315.00

American Custom Chemicals Corporation
CYCLO(-ALA-GLN) 98.00%
0.25G
$ 1441.00

Total 20 raw suppliers

Chemical Property of 3-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)propanamide

Chemical Property:

Boiling Point:670.3±40.0 °C(Predicted)
PKA:13.04±0.60(Predicted)
PSA：101.29000
Density:1 +-.0.06 g/cm3(Predicted)
LogP:-0.38710
Storage Temp.:-15°C
XLogP3:-1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:199.09569129
Heavy Atom Count:14
Complexity:277

Purity/Quality:

99%, ^*data from raw suppliers

Cyclo(-Ala-Gln) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(=O)NC(C(=O)N1)CCC(=O)N
Isomeric SMILES:C[C@H]1C(=O)N[C@H](C(=O)N1)CCC(=O)N
Uses Cyclo(-Ala-Gln) is a cyclic dipeptide with anti-biofilm and anti-adherence properties against oral pathogens.

Technology Process of 3-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)propanamide

There total 1 articles about 3-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)propanamide 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:

: 15761-38-3
L-N-Boc-Ala

: 13726-85-7
Boc-Gln-OH

: 268221-76-7
(2S,5S)-2-(2-carbamoylethyl)-5-methylpiperazine-3,6-dione

Guidance literature:: L-N-Boc-Ala; With benzotriazol-1-ol; In dichloromethane; N,N-dimethyl-formamide; at 0 ℃;

With dmap; N-ethyl-N,N-diisopropylamine; diisopropyl-carbodiimide; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 3h;

Boc-Gln-OH; Further stages;
DOI:10.1080/10610278.2016.1236197