Cefathiamidine Impurity 1

Base Information

Chemical Name:Cefathiamidine Impurity 1
CAS No.:26973-80-8
Molecular Formula:C12H13 Br N2 O6 S
Molecular Weight:393.215
Hs Code.:
UNII:4N6P66J4H2
DSSTox Substance ID:DTXSID90514080
Nikkaji Number:J1.583.399H
Wikidata:Q82374214
Mol file:26973-80-8.mol

Synonyms:26973-80-8;Cefathiamidine Impurity 1;7-Bromoacetylaminocephalosporanic acid;(6R,7R)-3-(Acetyloxymethyl)-7-[(2-bromoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;7-(alpha-Bromoacetamido)cephalosporanic acid;(6R,7R)-3-(acetoxymethyl)-7-(2-bromoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;SCHEMBL2334986;DTXSID90514080;4N6P66J4H2;7-(2-Bromoacetamido)cephalosporanic acid;(6R, 7R)-3-(acetyloxymethyl)-7-[(2-bromoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(6R,7R)-3-(acetoxymethyl)-7-(2-bromoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid;(6R,7R)-3-[(Acetyloxy)methyl]-7-(2-bromoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;(6R,7R)-3-[(Acetyloxy)methyl]-7-[(2-bromoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(2-bromoacetyl)amino]-8-oxo-, (6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(bromoacetyl)amino]-8-oxo-, (6R,7R)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[(bromoacetyl)amino]-8-oxo-, (6R-trans)-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(2-bromoacetamido)-3-(hydroxymethyl)-8-oxo-, acetate (ester)

Suppliers and Price of Cefathiamidine Impurity 1

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
7-BromoacetylaminocephalosporanicAcid
1g
$ 1320.00

American Custom Chemicals Corporation
7-(ALPHA-BROMOACETAMIDO)CEPHALOSPORANIC ACID 95.00%
5MG
$ 498.26

Total 25 raw suppliers

Chemical Property of Cefathiamidine Impurity 1

Chemical Property:

Boiling Point:711.2±60.0 °C(Predicted)
PKA:2.67±0.50(Predicted)
PSA：141.80000
Density:1.81±0.1 g/cm3(Predicted)
LogP:0.46120
Storage Temp.:Amber Vial, Refrigerator, Under inert atmosphere
Solubility.:Chloroform, Dichloromethane, Dimethyl Sulfoxide
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:391.96777
Heavy Atom Count:22
Complexity:578

Purity/Quality:

99% ^*data from raw suppliers

7-BromoacetylaminocephalosporanicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CBr)SC1)C(=O)O
Isomeric SMILES:CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CBr)SC1)C(=O)O
Uses An analog of glutaryl-7-amino cephalosporanic acid (GL-7-ACA). Can inhibit and specifically alkylate GL-7-ACA acylase (C130) from Pseudomonas sp.130 by forming a carbon-carbon bond between BA-7-ACA and the C-2 on indole ring of Trp-β4 residue of C130.

Technology Process of Cefathiamidine Impurity 1

There total 2 articles about Cefathiamidine Impurity 1 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: