Deoxyadenosylcobalamin

Base Information

• Chemical Name: Deoxyadenosylcobalamin
• CAS No.: 13870-90-1
• Molecular Formula: C72H100CoN18O17P
• Molecular Weight: 1579.66
• Hs Code.: 2936260000
• European Community (EC) Number: 237-627-6
• DSSTox Substance ID: DTXSID1046009
• NCI Thesaurus Code: C169859
• Mol file: 13870-90-1.mol

Synonyms:3',4'-anhydroadenosylcobalamin;5'-deoxyadenosylcobalamin;adenosylcobalamin;AdoCbl;cobamamide;coenzyme B12;desoxyadenosylcobalamine;dibencozide;Indusil T;vitamin B12 coenzyme

Chemical Property of Deoxyadenosylcobalamin

Chemical Property:

• PKA: 3.5(at 25℃)
• PSA: 583.18000
• LogP: 6.19200
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly, Sonicated)
• Water Solubility.: 26g/L(24 oC)
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 27
• Exact Mass: 1578.658339
• Heavy Atom Count: 109
• Complexity: 3730

Purity/Quality:

99% ^*data from raw suppliers

Cobamamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3]
• Isomeric SMILES: CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3]
• Recent EU Clinical Trials: EXPERIMENTAL STUDY, RANDOMIZED, OPEN LABEL, TO EVALUATE THE EFFECT OF DOCOSAHEXAENOIC ACID (DHA) SUPPLEMENTATION VERSUS 5-METHYLTETHRAHYDROFOLATE + B12 VITAMIN AND DHA, IN CYSTIC FIBROSIS PATIENTS AND PANCREATIC INSUFFICIENCY
• Uses: emulsifying agent Coenzyme B12 has been used as a supplement for culturing plasmid variants in in vivo assay of yvrC-lacZ fusions.
• Therapeutic Function: Anabolic, Analgesic

Technology Process of Deoxyadenosylcobalamin

There total 1 articles about Deoxyadenosylcobalamin 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:

→ coenzyme B12 (13870-90-1)

Guidance literature:

2'.3'-O-Isopropiliden-5'-deoxy-adenosyl-cobalamin, 0.1N wss. HCl;

Refernces

Formation of the dimethylbenzimidazole ligand of coenzyme B₁₂ under physiological conditions by a facile oxidative cascade

10.1021/ol034530m

The research explores the nonenzymatic synthesis of the 5,6-dimethylbenzimidazole (DMB) ligand of vitamin B12 from riboflavin through an oxidative cascade under physiological conditions. Coenzyme B12, also known as vitamin B12, is a complex cobalt-containing vitamin essential for various biological processes. 5,6-Dimethylbenzimidazole (DMB) is an organic compound that serves as one of the axial ligands of coenzyme B12. Riboflavin, also known as vitamin B2, is a precursor in the biosynthesis of DMB in the study. It is a water-soluble vitamin that plays a vital role in cellular respiration and energy production. The study demonstrates that DMB can be formed from diaminobenzene intermediates via a series of oxidation steps, including the formation of bisimines and subsequent tautomerization, cyclization, and aromatization.

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