Adenosine-5'-phosphate-2',3'-cyclic phosphate
AlkaPlorer ID: AK004467
Synonym: None
IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl dihydrogen phosphate
Structure
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O4)O)N
InChI: InChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t4-,6-,7-,10-/m1/s1
InChIKey: HJMBCNJTGVMDOA-KQYNXXCUSA-N
Reference
Synthesis and Antimicrobial Activity of Calycanthaceous Alkaloid Analogues
PubChem CID: 12876352
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 409.1880000000001
TPSA？: 201.36999999999998
MolLogP？: -0.7004000000000006
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Meleagris gallopavo | P2Y purinoceptor 1 | EC50 | 40900.0 | nM | 10.1021/jm970433l |
| Meleagris gallopavo | P2Y purinoceptor 1 | IC50 | 12700.0 | nM | 10.1021/jm970433l |
| Meleagris gallopavo | P2Y purinoceptor 1 | Max increase | 43.0 | % | 10.1021/jm970433l |
| Meleagris gallopavo | P2Y purinoceptor 1 | Max inhibition | 73.0 | % | 10.1021/jm970433l |