Deoxyfructosazine
Grundinformationen
- CAS
17460-13-8- Standard-SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)c1cnc(C[C@H](O)[C@H](O)CO)cn1- InChIKey
FBDICDJCXVZLIP-VSSNEEPJSA-N- Summenformel
- C12H20N2O7
- Durchschnittliche Molmasse
- 304,3 g/mol
- Monoisotopische Masse
- 304,12705098
Überblick
structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- Deoxyfructosazine
- IUPAC
- (1R,2S,3R)-1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
- Englischer Name
- deoxyfructosazine
- Summenformel
- C12H20N2O7
- Molmasse
- 304.3
Namen und Synonyme
17460-13-82,5-DeoxyfructosazineDeoxyfructosazineX6DTV8Q73CDTXSID90169857NSC-2709121,2,3,4-Butanetetrol, 1-(5-(2,3,4-trihydroxybutyl)pyrazinyl)-, (1R-(1R*(2S*,3R*),2S*,3R*))-RefChem:131952DTXCID80923481-(5-(2,3,4-trihydroxybutyl)pyrazin-2-yl)butane-1,2,3,4-tetrolGLUCOSAMINE EP IMPURITY C(1R,2S,3R)-1-(5-((2S,3R)-2,3,4-Trihydroxybutyl)pyrazin-2-yl)butane-1,2,3,4-tetraol
Weitere Namen anzeigen
2,5-Deoxyfructosazine (hydrochloride)Glucosamine Impurity CGlucosamine sulfate Impurity 12Glucosamine sulphate Impurity CGlucosamine sulfate EP impurity CGlucosamine EP Impurity C (Deoxy-Fructosazine)
1,2,3,4-Butanetetrol,1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]-2-pyrazinyl]-, (1R,2S,3R)-NSC 270912(1R,2S,3R)-1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol(1r,2s,3r)-1-{5-[(2s,3r)-2,3,4-trihydroxybutyl]pyrazin-2-yl}butane-1,2,3,4-tetrol(1R,2S,3R)-1-[5-[(2S,3R)-2,3,4-Trihydroxybutyl]-2-pyrazinyl]-1,2,3,4-butanetetrolDeoxyfuctosazineNSC270912orb1693024
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -4,6
- Polarare Oberfläche (TPSA)
- 167 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 297
Physikochemische Eigenschaften
- Schmelzpunkt
- 157 · 157-160°C
- Siedepunkt
- 712 · 712.0±60.0 °C(Predicted)
- Dichte
- 1.582 · 1.582
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly, Sonicated)
- Aggregatzustand
- Solid
- pka
- 11.86 · 11.86±0.20(Predicted)
- Farbe
- Pale Brown to Brown
- Major Application
- pharmaceutical small molecule
- InChI
- InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-14-7(3-13-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2/t8-,9+,10+,11+,12+/m0/s1
- InChIKey
- FBDICDJCXVZLIP-VSSNEEPJSA-N
- SMILES
- [C@H](C1=NC=C(C[C@H](O)[C@H](O)CO)N=C1)(O)[C@H](O)[C@H](O)CO
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29072990
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Beschreibung2,5-Deoxyfructosazine is a pyrazine derivative that can be found in cured tobacco and is used as a flavoring agent in the food and tobacco industry. Pyrazines, including 2,5-deoxyfructosazine, can be produced either by pyrolytic decomposition of natural compounds or by the reaction of sugars with alcoholic ammonia. 2,5-Deoxyfructosazine is also formed by the breakdown of D-glucosamine at neutral pH. Like glucosamine, 2,5-deoxyfructosazine has DNA strand breakage activity and strongly inhibits IL-2 production by Jurkat cells stimulated with phytohemagglutinin (IC50 = ~1.25 mM).
VerwendenContained in tobacco flavor additives.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter72 Anbieter
天津始加生物医药科技有限公司15022261580 · [email protected]
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成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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