8-(4-Chlorophenylthio)-cAMP
Completing data — refresh the page later to see the latest
Basic information
- CAS
41941-66-6- Standard SMILES
Nc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O- InChIKey
AAZMHPMNAVEBRE-SDBHATRESA-N- Molecular formula
- C16H15ClN5O6PS
- Average molar mass
- 471.8 g/mol
- Monoisotopic mass
- 471.0169191
Overview
8-(4-chlorophenylthio)-cAMP is a 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group. It has a role as a protein kinase agonist. It is a 3',5'-cyclic purine nucleotide, an aryl sulfide, an organochlorine compound and an adenyl ribonucleotide. It is functionally related to a 3',5'-cyclic AMP.
Names & identifiers
- Preferred name
- 8-(4-Chlorophenylthio)-cAMP
- IUPAC
- (4aR,6R,7R,7aS)-6-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
- English name
- 8-(4-CHLOROPHENYLTHIO)-CAMP SODIUM SALT MEMBRANE-PERMEABLE AN
- Molecular formula
- C16H15ClN5O6PS
- Molecular weight
- 471.81
Names & synonyms
8-(4-Chlorophenylthio)-cAMP41941-66-68-Ctp-camp8-Parachlorophenylthio camp8-((4-Chlorophenyl)thio)cyclic-3',5'-amp8-(4-Chlorothiophenyl)cyclic amp8-(p-Chlorophenylthio)cyclic-3',5'-ampDTXSID6040402CHEBI:846128-(4-chlorophenylthio)cAMPRefChem:106794DTXCID4020402
Show more names
CPT-cAMP8-(4-CHLOROPHENYLTHIO)ADENOSINE 3':5'-CYCLIC MONO...8-(4-Chlorophenylthio)adenosine-3',5'-phosphoric acid8-(4-Chlorophenylthio)adenosine 3',5'-phosphoric acid8-(p-Chlorophenylthio)adenosine 3′,5′-cyclic phosphate8-[(4-Chlorophenyl)thio]adenosine-3',5'-phosphoric acidAdenosine, 8-[(4-chlorophenyl)thio]-, cyclic 3',5'-(hydrogen phosphate)
8-CPT-cAMPCHEMBL230552Rp-Cpt-camps8-(4-chlorophenylthio)-cyclic AMP8-pCPT-cAMP8-(4-CHLOROPHENYLTHIO)-CAMP SODIUM SALT MEMBRANE-PERMEABLE AN8-p-Chlorophenylthio-cAMPorb2815466
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 693
Experimental & physicochemical properties
LogP-0.98
Physicochemical properties
- Boiling point
- 799.2 · 799.2±70.0 °C(Predicted)
- Density
- 2.09 · 2.09±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 0.96 · 0.96±0.60(Predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Additional notes
DefinitionChEBI: A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…