Xestospongin C
Grundinformationen
- CAS
88903-69-9- Standard-SMILES
C1CCC[C@H]2CCCN3CC[C@@H](CCCCCC[C@@H]4CCCN5CC[C@@H](CC1)O[C@@H]45)O[C@@H]23- InChIKey
PQYOPBRFUUEHRC-HCKQMYSWSA-N- Summenformel
- C28H50N2O2
- Durchschnittliche Molmasse
- 446,7 g/mol
- Monoisotopische Masse
- 446,38722884
Überblick
Xestospongin C is an organic heteropentacyclic compound that is isolated from the marine sponge Xestospongia exigua. It has a role as an IP3 receptor antagonist, an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a marine metabolite. It is an alkaloid, an organonitrogen heterocyclic compound, an oxacycle, an organic heteropentacyclic compound, a tertiary amino compound and a macrocycle.
Namen und Bezeichner
- Bevorzugter Name
- Xestospongin C
- IUPAC
- (1S,8R,10S,15R,22R,29S)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane
- Englischer Name
- XESTOSPONGIN C
- Summenformel
- C28H50N2O2
- Molmasse
- 446.71
Namen und Synonyme
xestospongin cAraguspongin EXeC compoundCHEBI:131784DTXSID50893520RefChem:934326DTXCID101323541(1R,8S,10R,15S,22S,29R)-9,30-dioxa-11,25-diazapentacyclo(20.6.2.2^(8,11).0^(10,15).0^(25,29))dotriacontane(1R,8S,10R,15S,22S,29R)-9,30-dioxa-11,25-diazapentacyclo(20.6.2.28,11.010,15.025,29)dotriacontaneAraguspongine E88903-69-9Xestospongin
Weitere Namen anzeigen
XECARGUSPONGINE EPQYOPBRFUUEHRC-HCKQMYSWSA-NXestospongin C((-)-Xestospongin C)Xestospongin C, IP3 receptor antagonistXestospongin C 4-((1H-Indol-7-yl)carbamoyl)phenyl diethylcarbamate
(-)-xestospongin C(1R,8R,10S,15S,22R,29S)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane(1S,8R,10S,15R,22R,29S)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontaneXestospongin C, film(1R,4aR,11R,12aS,13S,16aS,23R,24aS)-Eicosahydro-5H,17H-1,23:11,13-diethano-2H,14H-[1,11]dioxacycloeicosino[2,3-b:12,13-b']dipyridineCHEMBL515501orb1703914SCHEMBL13820264
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,4
- Polarare Oberfläche (TPSA)
- 24,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 510
Physikochemische Eigenschaften
- Schmelzpunkt
- 146 · 146-147 °C(Solv: acetone (67-64-1))
- Siedepunkt
- 564.7 · 564.7±35.0 °C(Predicted)
- Dichte
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- DMSO: soluble
- Aggregatzustand
- film
- pka
- 7.73 · 7.73±0.20(Predicted)
- Farbe
- off-white
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month.
- InChIKey
- PQYOPBRFUUEHRC-HCKQMYSWSA-N
- SMILES
- [H][C@@]12CCCCCC[C@@]3([H])CCCN4CC[C@@]([H])(CCCCCC[C@]5([H])CCCN(CC1)[C@@]5([H])O2)O[C@@]34[H]
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
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenXestospongin C is a marine natural product which was first isolated from Pacific basin sponges, and noted to have vasodilatory properties. Xestospongin C antagonizes the calcium-releasing action of inositol-1,4,5-trisphosphate (IP3) at the receptor level. Inositol phosphates are important signal transduction messengers acting via IP3 receptors to promote the mobilization of Ca2+ from intracellular stores. Xestospongin C blocks the increase in intracellular calcium in vascular smooth muscle cells completely at a concentration of 25 μM. Xestospongin C also inhibits the sarcoplasmic reticulum Ca2+ ATPase pump at concentrations of 700 nM.
Anbieter24 Anbieter
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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