Basic information
- CAS
5542-28-9- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O- InChIKey
YOAHKNVSNCMZGQ-XPWFQUROSA-N- Molecular formula
- C20H28N10O19P4
- Average molar mass
- 836.4 g/mol
- Monoisotopic mass
- 836.04826669
Overview
P(1),P(4)-bis(5'-adenosyl) tetraphosphate is a diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P1- and P4-positions. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a P(1),P(4)-bis(5'-adenosyl) tetraphosphate(4-).
Names & identifiers
- Preferred name
- Ap4A
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
- English name
- [[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- Molecular formula
- C20H28N10O19P4
- Molecular weight
- 836.39
Names & synonyms
Diadenosine tetraphosphateAppppA5542-28-95',5'''-Diadenosine tetraphosphateAp4Aadenosine(5')tetraphospho(5')adenosinebis(5'-adenosyl)tetraphosphateDTXSID60203994P(1), P(4)-diadenosine-5'tetraphosphateADENOSINE 5'-(PENTAHYDROGEN TETRAPHOSPHATE), 5'-5'-ESTER with ADENOSINE[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)((((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy))phosphinic acid
Show more names
Diadenosine tetraphoshateAP4A –, Solid (5 mg)AP4A –, Solid (25 mg)AP4A –, Solution, L pack
Properties
Computed structural properties
- XLogP
- -8.3
- Topological polar surface area
- 434 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 14
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,410
Experimental & physicochemical properties
LogP-1.475
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 1250.6 · 1250.6±75.0 °C(Predicted)
- Density
- 2.61 · 2.61±0.1 g/cm3(Predicted)
- pka
- 0.7 · 0.70±0.50(Predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Applications
UsesAp4A (P1,P4-Di-(adenosine-5')-tetraphosphate) is a conserved second messenger in organisms ranging from bacteria to humans. Ap4A binds to the histidine triad nucleotide-binding protein 1 (HINT1) activates the transcription of genes downstream of MITF. Ap4A induces apoptosis[1][2].
Suppliers5 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
Additional notes
DefinitionChEBI: A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P1- and P4-positions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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