Oxetanocin
Grundinformationen
- CAS
103913-16-2- Standard-SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]1CO- InChIKey
LMJVXGOFWKVXAW-OXOINMOOSA-N- Summenformel
- C10H13N5O3
- Durchschnittliche Molmasse
- 251,24 g/mol
- Monoisotopische Masse
- 251,10183928
Überblick
Oxetanocin A is a nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups. It has a role as an antibacterial agent, an anti-HIV agent and a bacterial metabolite. It is a primary alcohol, a diol, a member of oxetanes and a nucleoside analogue. It is functionally related to an adenine.
Namen und Bezeichner
- Bevorzugter Name
- Oxetanocin
- IUPAC
- [(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
- Englischer Name
- oxetanocin
- Summenformel
- C10H13N5O3
- Molmasse
- 251.24
Namen und Synonyme
Oxetanocin AOxetanocin103913-16-2NK 84-02189-(3,4-bis(hydroxymethyl)-2-oxetanyl)adenine[(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol9-((2R,3R,4S)-3,4-Bis(hydroxymethyl)-2-oxetanyl)adenineCHEBI:86012DTXSID701461419-[(2R,3R,4S)-3,4-bis(Hydroxymethyl)-2-oxetanyl]adenine((2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl)methanoloxetanocin A (Oxt-A)
Weitere Namen anzeigen
NK-84-0218(2S)-4α-(6-Amino-9H-purin-9-yl)-2α,3β-oxetanedimethanol
RefChem:168901DTXCID2068632(-)-Oxetanocin[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol(-)-oxetanocin A2,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-, (2S-(2-alpha,3-beta,4-alpha))-CHEMBL116430JF5YU6T497
Datenbank-Bezeichner
- CAS
103913-16-2- PubChem CID
- 72214
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,4
- Polarare Oberfläche (TPSA)
- 119 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 307
Physikochemische Eigenschaften
- Schmelzpunkt
- 197 °C · 197 °C
- Siedepunkt
- 602.085 · 602.085±65.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.92 · 1.920±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.438 · 14.438±0.10(predicted)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Substances that inhibit the growth or reproduction of BACTERIA.
Anwendungen
VerwendenOxetanocin is a potent antitumor, antiviral and antibacterial compound.
Anbieter1 Anbieter
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups.
Zugehörige Reaktionen
4
Notizen zur Verbindung
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