{4,7-Bis-carboxymethyl-10-[(2-mercapto-ethylcarbamoyl)-methyl]-1,4,7,10tetraaza-cyclod

Base Information

Chemical Name:{4,7-Bis-carboxymethyl-10-[(2-mercapto-ethylcarbamoyl)-methyl]-1,4,7,10tetraaza-cyclod
CAS No.:865470-67-3
Molecular Formula:C17H31N5O7S
Molecular Weight:463.55
Hs Code.:
DSSTox Substance ID:DTXSID80463215
Nikkaji Number:J2.224.711E
Mol file:865470-67-3.mol

Synonyms:2,2',2''-(10-(2-(2-mercaptoethylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid;thiol-DOTA

Suppliers and Price of {4,7-Bis-carboxymethyl-10-[(2-mercapto-ethylcarbamoyl)-methyl]-1,4,7,10tetraaza-cyclod

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
DO3A-Thiol
10mg
$ 330.00

TRC
DO3A-Thiol
5mg
$ 230.00

American Custom Chemicals Corporation
(4,7-BIS-CARBOXYMETHYL-10-[(2-MERCAPTO-ETHYLCARBAMOYL)-METHYL]-1,4,7,10TETRAAZA-CYCLODODEC-1-YL)-ACETIC ACID 95.00%
1G
$ 1752.43

Total 7 raw suppliers

Chemical Property of {4,7-Bis-carboxymethyl-10-[(2-mercapto-ethylcarbamoyl)-methyl]-1,4,7,10tetraaza-cyclod

Chemical Property:

PSA：192.76000
LogP:-2.34970
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:-8.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:10
Exact Mass:463.21006958
Heavy Atom Count:31
Complexity:578

Purity/Quality:

98% ^*data from raw suppliers

DO3A-Thiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN(CCN(CCN1CC(=O)NCCS)CC(=O)O)CC(=O)O)CC(=O)O
Uses DO3A-Thiol is a DOTA derivative used for site-specific biomolecular modification via click chemistry.

Technology Process of {4,7-Bis-carboxymethyl-10-[(2-mercapto-ethylcarbamoyl)-methyl]-1,4,7,10tetraaza-cyclod

There total 7 articles about {4,7-Bis-carboxymethyl-10-[(2-mercapto-ethylcarbamoyl)-methyl]-1,4,7,10tetraaza-cyclod 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: 100.0%

: tri-tert-butyl 2,2',2''-(10-(2-oxo-2-((2-(tritylthio)ethyl)amino)ethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

: 865470-67-3
2,2',2''-(10-(2-((2-mercaptoethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Guidance literature:: With triethylsilane; 1-thiopropane; trifluoroacetic acid; at 20 ℃;
DOI:10.1071/CH14572

Reference yield: 85.0%

: 1095-85-8
2-amino tritylthio ethane

: 137076-54-1
1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid

: 865470-67-3
2,2',2''-(10-(2-((2-mercaptoethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Guidance literature:: 1,4,7-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane-10-acetic acid; With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; for 0.0833333h;

2-amino tritylthio ethane; With triethylamine; In N,N-dimethyl-formamide; for 2h;

With chlorotriisopropylsilane; methyl-phenyl-thioether; water; ethane-1,2-dithiol; trifluoroacetic acid; for 2h;