4-(Acetylamino)-5-hydroxy-2,7-naphthalenedisulfonic acid
AlkaPlorer ID: AK004014
Synonym: None
IUPAC Name: 4-acetamido-5-hydroxynaphthalene-2,7-disulfonic acid
Structure
SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O
InChI: InChI=1S/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)
InChIKey: DACUJXBUANTBKE-UHFFFAOYSA-N
Reference
Isolation and structural elucidation of new saframycins Y3, Yd-1, Yd-2, Ad-1, Y2b and Y2b-d.
PubChem CID: 64955
CAS: 134-34-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 361.35300000000007
TPSA？: 158.07
MolLogP？: 0.9972000000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | IC50 | 290.0 | nM | 10.1021/jm960596u |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | IC50 | 470.0 | nM | 10.1021/jm960596u |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | IC50 | 17000.0 | nM | 10.1021/jm000194t |
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | Kd | 15000.0 | nM | 10.1021/jm000194t |
| None | Unchecked | IC50 | 350000.0 | nM | 10.1021/jm000194t |