7-Hydroxy-2H-1,4-benzothiazin-3(4H)-one
AlkaPlorer ID: AK071369
Synonym: BPSS2111-2113:A
IUPAC Name: 7-hydroxy-4H-1,4-benzothiazin-3-one
Structure
SMILES: OC1=NC2=CC=C(O)C=C2SC1
InChI: InChI=1S/C8H7NO2S/c10-5-1-2-6-7(3-5)12-4-8(11)9-6/h1-3,10H,4H2,(H,9,11)
InChIKey: GJRKJMSYGXBCNU-UHFFFAOYSA-N
Reference
PubChem CID: 820031
CAS: 91375-75-6
LOTUS: LTS0203813
COCONUT: CNP0119141
{NPAtlas: NPA006256
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Halomonas sp. | Halomonas | Halomonadaceae | Oceanospirillales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Burkholderia pseudomallei | Burkholderia | Burkholderiaceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 181.21599999999995
TPSA？: 52.82000000000001
MolLogP？: 2.0859
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Cholinesterase | Inhibition | nan | % | 10.1016/j.bmcl.2022.129038 |
| Homo sapiens | Acetylcholinesterase | Inhibition | nan | % | 10.1016/j.bmcl.2022.129038 |
| Homo sapiens | Monoamine oxidase A | IC50 | 19200.0 | nM | 10.1016/j.bmcl.2022.129038 |
| Homo sapiens | Monoamine oxidase B | IC50 | 20000.0 | nM | 10.1016/j.bmcl.2022.129038 |
| Sus scrofa | D-amino-acid oxidase | IC50 | 4200.0 | nM | 10.1016/j.bmcl.2022.129038 |