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name Structure Reference Source Properties Activities Metabolism

{2,6-diamino-10,10-dihydroxy-1H,3aH,4H,8H,9H,10H-pyrrolo[1,2-c]purin-4-yl}methyl acetate

AlkaPlorer ID: AK326841

Synonym: None

IUPAC Name: [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl acetate

Structure

SMILES: CC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23NC(=N)N[C@@H]13

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InChI: InChI=1S/C11H18N6O4/c1-5(18)21-4-6-7-11(16-8(12)15-7)10(19,20)2-3-17(11)9(13)14-6/h6-7,19-20H,2-4H2,1H3,(H2,13,14)(H3,12,15,16)/t6-,7-,11-/m0/s1

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InChIKey: FYMGGEYPNDYSSU-HFJPGXAFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Cyanobacterium Geminocystaceae Chroococcales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 298.30299999999994

TPSA？: 153.79000000000002

MolLogP？: -2.964859999999997

Number of H-Donors: 7

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Sodium channel protein type IX alpha subunit IC50 18.0 nM 10.1021/acsmedchemlett.2c00378
Homo sapiens Sodium channel protein type V alpha subunit IC50 4566.0 nM 10.1021/acsmedchemlett.2c00378
Homo sapiens Sodium channel protein type V alpha subunit IC50 4600.0 nM 10.1021/acs.jmedchem.8b01906
Homo sapiens Sodium channel protein type VII alpha subunit IC50 19.0 nM 10.1021/acs.jmedchem.8b01906
Rattus norvegicus Sodium channel protein type IV alpha subunit IC50 83.0 nM 10.1021/acsmedchemlett.2c00378
None Unchecked IC50 nan None 10.1021/acsmedchemlett.2c00378
None Unchecked Ratio IC50 240.0 None 10.1021/acs.jmedchem.8b01906

Metabolism Information