Adenosine, 2'-deoxy-7,8-dihydro-8-thioxo-

Base Information

• Chemical Name: Adenosine, 2'-deoxy-7,8-dihydro-8-thioxo-
• CAS No.: 17318-18-2
• Molecular Formula: C10H13N5O3S
• Molecular Weight: 283.311
• DSSTox Substance ID: DTXSID70443203
• Nikkaji Number: J919.302B
• Wikidata: Q82260921
• Mol file: 17318-18-2.mol

Synonyms:17318-18-2;6-Amino-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-purine-8(9H)-thione;8-Mercapto-2'-deoxyadenosine;Adenosine, 2'-deoxy-7,8-dihydro-8-thioxo-;SCHEMBL7197443;DTXSID70443203

Chemical Property of Adenosine, 2'-deoxy-7,8-dihydro-8-thioxo-

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 283.07391047
• Heavy Atom Count: 19
• Complexity: 373

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C3=NC=NC(=C3NC2=S)N)CO)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3NC2=S)N)CO)O

Technology Process of Adenosine, 2'-deoxy-7,8-dihydro-8-thioxo-

There total 2 articles about Adenosine, 2'-deoxy-7,8-dihydro-8-thioxo- 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:

thioanhydroadenosine → adenosine-2'-α-sulfonate + adenosine-2'-β-sulfonate + 8-mercaptoadenosine-2'-α-sulfonate + 8-mercaptoadenosine-2'-β-sulfonate + 8-mercaptoadenosine (3001-45-4) + 2'-deoxy-8-mercaptoadenosine (17318-18-2) + 2'-deoxy-D-adenosine (958-09-8,7005-15-4) + adenosine (58-61-7)

Guidance literature:

With sodium hydroxide; sodium sulfite; In water; water-d2; for 5h; pH=8; pH-value; UV-irradiation; Inert atmosphere;

DOI:10.1021/jacs.1c07403

Reference yield:

thioanhydroadenosine → 2'-deoxy-8-mercaptoadenosine (17318-18-2) + 2'-deoxy-D-adenosine (958-09-8,7005-15-4)

Guidance literature:

With sodium hydroxide; sodium sulfite; In water; water-d2; for 5h; pH=7; Overall yield = 75 percentSpectr.; UV-irradiation; Inert atmosphere;

DOI:10.1021/jacs.1c07403

Reference yield:

2'-deoxy-8-mercaptoadenosine (17318-18-2) → 8-mercaptoadenine (7390-62-7)

Guidance literature:

With water; at 80 ℃; Rate constant;

DOI:10.1016/S0040-4039(00)73300-4

Downstream raw materials:

8-mercaptoadenine

8-(methylthio)-2'-deoxyadenosine

N₆-(benzoyl)-2'-deoxy-8-(pent-4-enylsulfanyl)adenosine

5'-O-(4,4'-dimethoxytrityl)-N₆-(benzoyl)-2'-deoxy-8-(pent-4-enylsulfanyl)adenosine

Refernces