2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide

Base Information

Chemical Name:2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide
CAS No.:478644-12-1
Molecular Formula:C₁₇H₂₂ClN₃O₅S₂
Molecular Weight:447.964
Hs Code.:
UNII:1Y3JD5PEMS
Wikidata:Q27096505
Pharos Ligand ID:B6MQ7X1M7HL1
Metabolomics Workbench ID:150459
ChEMBL ID:CHEMBL220050
Mol file:478644-12-1.mol

Synonyms:2-(5-chlorothien-2-yl)-N-(1-(1-methyl-2-(morpholin-4-yl)-2-oxoethyl)-2-oxopyrrolidin-3-yl)ethenesulfonamide;GW 813893;GW-813893;GW813893

Suppliers and Price of 2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide

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

American Custom Chemicals Corporation
GW-813893 95.00%
5MG
$ 497.05

Total 6 raw suppliers

Chemical Property of 2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide

Chemical Property:

PSA：132.64000
LogP:2.48730
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:447.0689409
Heavy Atom Count:28
Complexity:721

Purity/Quality:

99% ^*data from raw suppliers

GW-813893 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)C=CC3=CC=C(S3)Cl
Isomeric SMILES:C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/C3=CC=C(S3)Cl
Recent ClinicalTrials:Phase IIa Venous Thromboembolism (VTE) Prevention Study In Total Knee Replacement (TKR)

Technology Process of 2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide

There total 6 articles about 2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}ethenesulfonamide 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: 70.0%

: 478646-39-8
(3S)-3-amino-1-[(1S)-1-methyl-2-(morpholin-4-yl)-2-oxoethyl]pyrrolidin-2-one

: 445280-98-8
2-(5-chloro-thiophen-2-yl)-ethenesulfonyl chloride

: 478644-12-1
(E)-2-(5-Chlorothien-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide

Guidance literature:: at 20 ℃;
DOI:10.1021/jm060870c

Reference yield: 60.0%

: 708270-52-4
(S)-3-amino-1-[(S)-1-methyl-2-morpholin-4-yl-2-oxo-ethyl]pyrrolidin-2-one hydrochloride

: 445280-98-8
2-(5-chloro-thiophen-2-yl)-ethenesulfonyl chloride

: 478644-12-1
(E)-2-(5-Chlorothien-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide

Guidance literature:: (S)-3-amino-1-[(S)-1-methyl-2-morpholin-4-yl-2-oxo-ethyl]pyrrolidin-2-one hydrochloride; With pyridine; In ethanol;

2-(5-chloro-thiophen-2-yl)-ethenesulfonyl chloride; In acetonitrile; at 20 ℃;

Reference yield:

: 478647-39-1
tert-butyl (2S)-2-((3S)-3-{[(benzyloxy)carbonyl]amino}-2-oxopyrrolidin-1-yl)propanoate

: 478644-12-1
(E)-2-(5-Chlorothien-2-yl)-N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}ethenesulfonamide

Guidance literature:: Multi-step reaction with 4 steps

1: 99.9 percent / TFA / CH₂Cl₂ / 4 h / 20 °C

2: 63 percent / O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium*BF₄; N,N-diisopropylethylamine / dimethylformamide / 2.5 h

3: 96 percent / H₂ / Pd/C / ethanol / 16 h / atmospheric pressure

4: 70 percent / 20 °C

With hydrogen; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm060870c