3-Hydroxyxanthen-9-one
Grundinformationen
- CAS
3722-51-8- Standard-SMILES
O=c1c2ccccc2oc2cc(O)ccc12- InChIKey
XCJHDJAODLKGLG-UHFFFAOYSA-N- Summenformel
- C13H8O3
- Durchschnittliche Molmasse
- 212,2 g/mol
- Monoisotopische Masse
- 212,04734411
Überblick
Sieber Linker has been reported in Hypericum sampsonii and Rhachidosorus mesosorus with data available.
Namen und Bezeichner
- Bevorzugter Name
- 3-Hydroxyxanthen-9-one
- IUPAC
- 3-hydroxyxanthen-9-one
- Englischer Name
- Sieber Linker
- Summenformel
- C13H8O3
- Molmasse
- 212.2
Namen und Synonyme
3-Hydroxyxanthen-9-oneDTXSID30418770RefChem:1068032DTXCID303696173722-51-8SIEBER LINKER3-Hydroxy-9H-xanthen-9-one3-Hydroxyxanthone3-Hydroxy-xanthen-9-one9H-Xanthen-9-one, 3-hydroxy-MFCD00604748Xanthen-9-one, 3-hydroxy-
Weitere Namen anzeigen
HFSibur linkerSieber Linkers6-HYDROXY-3-FLUORONESALOR-INT L254835-1EASIEBER LINKER, 99% MIN.
CHEMBL365640SCHEMBL5730699M02896CCG-42824CS-W014273SY052737H1269AB00682597-01
Datenbank-Bezeichner
- CAS
3722-51-8- PubChem CID
- 5376013
- DTXSID
DTXSID30418770- ChEMBL
CHEMBL365640- EC Number
- 126-475-5
- Nikkaji
- J130.932C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 289
Physikochemische Eigenschaften
- Schmelzpunkt
- 243 °C · 243 °C
- Siedepunkt
- 403.9 · 403.9±24.0 °C(Predicted)
- Dichte
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- storage temp.
- 0 °C · Store at 0°C
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 7.52 · 7.52±0.20(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Orange to Green
- InChI
- InChI=1S/C13H8O3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7,14H
- InChIKey
- XCJHDJAODLKGLG-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)OC2=C1C=CC(O)=C2
- CAS Datenbank
- 3722 · 3722-51-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hs_code
- 29329900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Anwendungen
VerwendenSieber linker (3-Hydroxyxanthen-9-one) is a natural product of the trifluoroacetic acid group found in Hypericum sampsonii and Rhachidosorus mesosorus. It has antiplatelet and anti-inflammatory properties. It also inhibits the expression of tumour necrosis factor-α (TNF-α) in mice. The synthesis of TNF-α is inhibited by Sieber linker, which may be due to its ability to inhibit the enzyme phosphodiesterase 4 (PDE4). Sieber linker also inhibits the binding of PDL1 to dinucleotide phosphate (DNP) and has an inhibitory effect on cancer cells. This molecule can be used for the treatment of infectious diseases, such as malaria and tuberculosis, since it inhibits protein synthesis in bacteria.
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