3-Deazaadenosylhomocysteine

Base Information

• Chemical Name: 3-Deazaadenosylhomocysteine
• CAS No.: 53199-57-8
• Molecular Formula: C15H21 N5 O5 S
• Molecular Weight: 383.42
• Mol file: 53199-57-8.mol

Synonyms:3-deazaadenosylhomocysteine;S-(3-deazaadenosyl)-L-homocysteine;S-(3-deazaadenosyl)-L-homocysteine monohydrate;S-(3-deazaadenosyl)homocysteine

Chemical Property of 3-Deazaadenosylhomocysteine

Chemical Property:

• Vapor Pressure: 1.12E-25mmHg at 25°C
• Boiling Point: 780.9°Cat760mmHg
• Flash Point: 426.1°C
• PSA: 195.77000
• Density: 1.8g/cm³
• LogP: -0.20170
• XLogP3: -4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 383.12633996
• Heavy Atom Count: 26
• Complexity: 503

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C2=C1N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
• Isomeric SMILES: C1=CN=C(C2=C1N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N

Technology Process of 3-Deazaadenosylhomocysteine

There total 5 articles about 3-Deazaadenosylhomocysteine 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: 95.0%

(S)-4-[(2S,3S,4R,5R)-5-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethylsulfanyl]-2-(2,2,2-trifluoro-acetylamino)-butyric acid methyl ester (100804-02-2) → 3-deazaadenosylhomocysteine (53199-57-8)

Guidance literature:

With barium dihydroxide; In methanol; water; for 2h; Ambient temperature;

DOI:10.1055/s-1985-31385

Reference yield: 92.0%

3-aminodihydrothiophen-2(3H)-one hydrochloride (6038-19-3) + 1-((3aR,4R,6S,6aR)-6-Chloromethyl-2-oxo-tetrahydro-2λ4-furo[3,4-d][1,3,2]dioxathiol-4-yl)-1H-imidazo[4,5-c]pyridin-4-ylamine (79782-14-2) → S-(3-deazaadenosyl)-DL-homocysteine (53199-57-8)

Guidance literature:

With sodium hydroxide; for 3h; Heating;

DOI:10.1021/jm00144a028

Reference yield: 65.0%

L-homocysteine (6027-13-0) + 5'-deoxy-5'-iodo-3-deazaadenosine (79782-13-1) → 3-deazaadenosylhomocysteine (53199-57-8)

Guidance literature:

With ammonia; sodium;

DOI:10.1021/jm00144a028

upstream raw materials:

L-homocysteine

5'-deoxy-5'-iodo-3-deazaadenosine

(S)-4-[(2S,3S,4R,5R)-5-(4-Amino-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethylsulfanyl]-2-(2,2,2-trifluoro-acetylamino)-butyric acid methyl ester

3-deazaadenosine

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