Methylthioadenosine sulfoxide

Base Information

Chemical Name:Methylthioadenosine sulfoxide
CAS No.:3387-65-3
Molecular Formula:C11H15 N5 O4 S
Molecular Weight:313.337
Hs Code.:
DSSTox Substance ID:DTXSID50955455
Nikkaji Number:J863.038K
Wikidata:Q82935065
ChEMBL ID:CHEMBL294920
Mol file:3387-65-3.mol

Synonyms:5'-deoxy-5'-S-adenosylmethyl sulfoxide;methylthioadenosine sulfoxide

Suppliers and Price of Methylthioadenosine sulfoxide

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 5 raw suppliers

Chemical Property of Methylthioadenosine sulfoxide

Chemical Property:

Boiling Point:764.7°Cat760mmHg
Flash Point:416.3°C
PSA：155.59000
Density:2.01g/cm³
LogP:-0.14690
XLogP3:-1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:313.08447515
Heavy Atom Count:21
Complexity:416

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
Isomeric SMILES:CS(=O)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
Uses 5’-Deoxy-5’-(methylthio)adenosine Bromide is a derivative of Ademethionine (A280350) and is a potential design inhibitor of human S-adenosylmethionine decarboxylase.

Technology Process of Methylthioadenosine sulfoxide

There total 1 articles about Methylthioadenosine sulfoxide 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:

: 2457-80-9
5'-Deoxy-5'-methylthioadenosine

: 3387-65-3
5’-deoxy-5’-methylsulfinyladenosine

: 5143-04-4
5'-Deoxy-5'-methylsulphonyladenosine

Guidance literature:: With dihydrogen peroxide; acetic acid;
DOI:10.1016/j.bmcl.2004.01.051

Reference yield:

: 3387-65-3
5’-deoxy-5’-methylsulfinyladenosine

: 2457-80-9
5'-Deoxy-5'-methylthioadenosine

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / 4-(dimethylamino)pyridine, Et₃N / acetonitrile / 1 h

2: 1) (dimethylamino)sulfur trifluoride, 2) NH₃ / 1) CHCl₃, 55 deg C, 2.5-3 h, 2) MeOH, r.t., 2.5 h

With dmap; dimethylaminosulphur trifluoride; ammonia; triethylamine; In acetonitrile;
DOI:10.1021/jm00125a012

Reference yield:

: 3387-65-3
5’-deoxy-5’-methylsulfinyladenosine

: 119771-21-0
5'-Deoxy-5'-fluoro-5'-(methylthio)adenosine

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / 4-(dimethylamino)pyridine, Et₃N / acetonitrile / 1 h

2: 1) (dimethylamino)sulfur trifluoride, 2) NH₃ / 1) CHCl₃, 55 deg C, 2.5-3 h, 2) MeOH, r.t., 2.5 h

With dmap; dimethylaminosulphur trifluoride; ammonia; triethylamine; In acetonitrile;
DOI:10.1021/jm00125a012