Tocladesine

Base Information

• Chemical Name: Tocladesine
• CAS No.: 41941-56-4
• Molecular Formula: C₁₀H₁₁ClN₅O₆P
• Molecular Weight: 363.654
• UNII: BQ94Z7E5OR
• DSSTox Substance ID: DTXSID101024678
• Nikkaji Number: J393.488H
• Wikidata: Q27274811
• NCI Thesaurus Code: C2571
• Metabolomics Workbench ID: 126881
• ChEMBL ID: CHEMBL2107085
• Mol file: 41941-56-4.mol

Synonyms:8-chloro-cAMP;8-chloro-cyclic adenosine monophosphate;8-chloro-cyclic AMP;8-chloroadenosine 3',5'-cyclic monophosphate;8-chloroadenosine 3',5'-monophosphate;8-Cl-cAMP;tocladesine

Chemical Property of Tocladesine

Chemical Property:

• Appearance/Colour: White to off-white powder
• Boiling Point: 731.7 °C at 760 mmHg
• PKA: 0.95±0.60(Predicted)
• Flash Point: 396.3 °C
• PSA: 164.65000
• Density: 2.55 g/cm³
• LogP: 0.41720
• Storage Temp.: −20°C
• Solubility.: aqueous base: soluble
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 363.0135478
• Heavy Atom Count: 23
• Complexity: 532

Purity/Quality:

97% ^*data from raw suppliers

8-Chloroadenosine 3′,5′-cyclic-monophosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O
• Isomeric SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O
• Recent ClinicalTrials: Tocladesine in Treating Patients With Recurrent or Progressive Metastatic Colorectal Cancer
• Uses: 8-Chloroadenosine 3'',5''-Cyclic Monophosphate is a cAMP analog with high selectivity for PKA I. Used in anti-cancer treatments.

Technology Process of Tocladesine

There total 1 articles about Tocladesine 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:

→ 8-chloroadenosine-3',5'-cyclic monophosphate (41941-56-4)

Guidance literature:

Amin, Alkyl.;