Xemilofiban

Base Information

Chemical Name:Xemilofiban
CAS No.:149820-74-6
Molecular Formula:C18H22 N4 O4
Molecular Weight:358.397
Hs Code.:
UNII:P614JI3IYK
DSSTox Substance ID:DTXSID60164410
Nikkaji Number:J965.312K
Wikidata:Q27286268
NCI Thesaurus Code:C152930
ChEMBL ID:CHEMBL76098
Mol file:149820-74-6.mol

Synonyms:ethyl-3S-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-4-pentynoate;SC 54684A;SC-54684A;xemilofiban

Suppliers and Price of Xemilofiban

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 2 raw suppliers

Chemical Property of Xemilofiban

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：134.37000
Density:1.22g/cm³
LogP:2.02450
XLogP3:-0.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:358.16410520
Heavy Atom Count:26
Complexity:573

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC(C#C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N
Isomeric SMILES:CCOC(=O)C[C@@H](C#C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N
Uses Prevention of post-recanalization reocclusion of coronary vessels; treatment of unstable angina.

Technology Process of Xemilofiban

There total 6 articles about Xemilofiban 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: 75.0%

: 4-[[4-(aminoiminomethyl)phenyl]amino]-4-oxobutanoic acid, monohydrochloride

: 149251-15-0
ethyl 3-amino-(3S)-ethynylpropionate hydrochloride

: 149820-74-6
xemilofiban

Guidance literature:: With 4-methyl-morpholine; isobutyl chloroformate;
DOI:10.1016/S0960-894X(97)00293-X

Reference yield:

: 4-[[4-(aminoiminomethyl)phenyl]amino]-4-oxobutanoic acid, monohydrochloride

: 149820-74-6
xemilofiban

Guidance literature:: Multi-step reaction with 2 steps

1: N-methylmorpholine / dimethylformamide / 0.08 h / 25 °C

2: DMAP, diisopropylethylamine / dimethylformamide / 1 h

With 4-methyl-morpholine; dmap; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;
DOI:10.1021/jm00013a014