Grundinformationen
- CAS
57265-65-3- Standard-SMILES
Clc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1.[Cl-]- InChIKey
YGEIMSMISRCBFF-UHFFFAOYSA-M- Summenformel
- C31H23Cl7N2O
- Durchschnittliche Molmasse
- 687,7 g/mol
- Monoisotopische Masse
- 683,963007
Überblick
Calmidazolium chloride is the organic choride salt of calmidazolium. It has a role as a calmodulin antagonist and an apoptosis inducer. It contains a calmidazolium.
Namen und Bezeichner
- Bevorzugter Name
- Calmidazolium Chloride
- IUPAC
- 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride
- Lokaler Name
- Calmidazolium
- Englischer Name
- CALMIDAZOLIUM CHLORIDE
- Summenformel
- C31H23Cl7N2O
- Molmasse
- 687.69
Namen und Synonyme
calmidazolium chloride57265-65-38CQN259H2WR-24571DTXSID5010172591-(Bis(chlorophenyl)methyl)-3-(2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl)imidazolinium chlorideRefChem:123008DTXCID001344324Calmidazolium (chloride)R 245711-(Bis(4-chlorophenyl)methyl)-3-(2-((2,4-dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazol-3-ium chlorideMFCD00077679
Weitere Namen anzeigen
COMPOUND 48/80CALMIDAZOLIUMCalimidazolineCOMPOUND R24571R 24571 CHLORIDECalmidazolium chloriCalmidazolium chloride,99%CALMODULIN INHIBITOR R 24571
1-[bis(4-Chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-(2,4-dichlorobenzyloxy)ethyl]-1H-imidazolium chloride1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium;chlorideMLS002172477CHEMBL12088581-[Bis(4-chlorophenyl)methyl]-3-{2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1H-imidazol-3-ium chlorideSMR001254103UNII-8CQN259H2WSR-01000075486
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 18 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 742
Physikochemische Eigenschaften
- Schmelzpunkt
- 172 · 172-176 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 100 mM · Soluble to 100 mM in DMSO and to 100 mM in ethanol
- Aggregatzustand
- solid
- Farbe
- white
- Wasserlöslichkeit
- Soluble in dimethyl sulfoxide, ethanol. methanol, chloroform, and propylene glycol. Insoluble in water.
- BRN
- 6470244 · 6470244
- InChIKey
- YGEIMSMISRCBFF-UHFFFAOYSA-M
- SMILES
- [Cl-].Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(CC(OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 3-8-10
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGII
- hs_code
- 29332990
- RTECS-Nr.
- Gk2402500
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Anwendungen
VerwendenCalmidazolium chloride is a small molecule CaM antagonist and calcium channel protein inhibitor. Calmidazolium chloride demonstrates noncompetitive inhibition of platelet and sarcoplasmic reticulum Ca2+-ATPase activity and shows inhibition of Ca2+transport activity in platelet microsomes. In HeLa cells, calmidazolium chloride stimulates a mechanism of cellular Ca2+influx distinct from store-operated Ca2+entry and unaccompanied by Ca2+store depletion, mobilizing stores and evoking a Ca2+signal through activation of phospholipase C. Calmidazolium chloride is described to inhibit constitutive nitric oxide synthase (NOS) activity without affecting inducible NOS in rat aorta. The dependence upon calmodulin of neuronal NOS (nNOS) in neuroblastoma N1E-115 cells was probed with calmidazolium chloride, where it was demonstrated to increase cGMP levels indirectly indicating an increase in NO output by nNOS. Calmidazolium chloride is also described to inhibit the activity of calmodulin N-methyltransferase.
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陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
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