Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine

Base Information

Chemical Name:Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine
CAS No.:35931-57-8
Molecular Formula:C₂₀H₂₇N₄O₁₁PS
Molecular Weight:562.494
Hs Code.:
DSSTox Substance ID:DTXSID30189498
Wikidata:Q83061608
Mol file:35931-57-8.mol

Synonyms:d(TpST);thymidyl-PS-thymidine;thymidylyl(3'-5')-5'-thio-5'-deoxythymidine;TPST

Suppliers and Price of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine

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 1 raw suppliers

Chemical Property of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine

Chemical Property:

PSA：250.80000
LogP:-0.32480
XLogP3:-2.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:562.11346586
Heavy Atom Count:37
Complexity:1100

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)SCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)O
Isomeric SMILES:CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)SC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)O

Technology Process of Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine

There total 2 articles about Thymidylyl(3'-5')-5'-thio-5'-deoxythymidine 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:

: triethylammonium dithymidine-5'-S-phosphorodithioate

: 2642-43-5
thymidine 3'-monophosphate

: 35931-57-8
dithymidine-5'-S-phosphorothiolate

Guidance literature:: With pyridine; water; iodine; at 20 ℃; for 1h;
DOI:10.1039/b901791g

Reference yield:

: 25953-14-4,94892-66-7
1-((2R,4S,5S)-4-hydroxy-5-(iodomethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione

: thymidine 3'-phosphorothioate

: 35931-57-8
dithymidine-5'-S-phosphorothiolate

Guidance literature:: With tributyl-amine; ion exchange resin; Yield given. Multistep reaction; 1.) H₂O, 2.) DMF, room temp., 48 h;
DOI:10.1021/jo960795l