Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, hydroxide, inner salt

Base Information

• Chemical Name: Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, hydroxide, inner salt
• CAS No.: 26892-00-2
• Molecular Formula: C₁₆H₂₄N₆O₅S
• Molecular Weight: 412.47
• DSSTox Substance ID: DTXSID80949685
• Mol file: 26892-00-2.mol

Synonyms:26892-00-2;Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, hydroxide, inner salt;DTXSID80949685;2-Amino-4-{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl](ethyl)sulfaniumyl}butanoate

Chemical Property of Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, hydroxide, inner salt

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 398.13723900
• Heavy Atom Count: 27
• Complexity: 527

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[S+](CCC(C(=O)[O-])N)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
• Isomeric SMILES: CC[S+](CCC(C(=O)[O-])N)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

Technology Process of Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, hydroxide, inner salt

There total 7 articles about Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, hydroxide, inner salt 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: 17.0%

ethionine (67-21-0) + ATP (56-65-5,896506-78-8) → S-adenosyl-L-ethionine (524-70-9,26892-00-2,29907-88-8)

Guidance literature:

With recombinant S-adenosylmethionine synthase-I₃₁₇V from Bacillus subtilis (strain ATCC 6051); In aq. buffer; at 30 ℃; for 18h; pH=8; Reagent/catalyst; stereoselective reaction; Enzymatic reaction;

DOI:10.1039/c4cc08478k

Reference yield:

DL-ethionine (13073-35-3) + 5'-deoxy-5'-chloroadenosine (892-48-8) → (S)-S-adenosylethionine (26892-00-2,29907-88-8)

Guidance literature:

With chlorinase SalL from Salinispora tropica wild type; In aq. phosphate buffer; at 37 ℃; for 5h; pH=7.4; Reagent/catalyst; Enzymatic reaction;

DOI:10.1039/c3ob41702f

Reference yield:

DL-ethionine (13073-35-3) + ATP (56-65-5,896506-78-8) → S-adenosyl-L-ethionine (524-70-9,26892-00-2,29907-88-8)

Guidance literature:

With rabbit-liver-extract;

upstream raw materials:

DL-ethionine

ATP

S-ethyl-homocysteine methyl ester

ethionine