Dcpib
Grundinformationen
- CAS
82749-70-0- Standard-SMILES
CCCCC1(C2CCCC2)Cc2cc(OCCCC(=O)O)c(Cl)c(Cl)c2C1=O- InChIKey
KHKGTPJPBOQECW-UHFFFAOYSA-N- Summenformel
- C22H28Cl2O4
- Durchschnittliche Molmasse
- 427,4 g/mol
- Monoisotopische Masse
- 426,1364648
Namen und Bezeichner
- Bevorzugter Name
- Dcpib
- IUPAC
- 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid
- Englischer Name
- DCPIB
- Summenformel
- C22H28Cl2O4
- Molmasse
- 427.36
Namen und Synonyme
DCPIB82749-70-0DTXSID904351654-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid4-(2-butyl-6,7-dichlor-2-cyclopentyl-indan-1-on-5-yl) oxybutyric acid4-((2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)butanoic acidRefChem:131058DTXCID10385991636-002-9MFCD077839954-[(2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-5-indanyl)oxy]butanoic Acid4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic Acid
Weitere Namen anzeigen
DCPIB, 10 mM in DMSO4-(2-BUTYL-6,7-DICHLORO-2-CYCLOPENTYLINDAN-1-ON-5-YL)OXYBUTYRIC ACIDButanoic acid, 4-[(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]-Cl-Channels,Chloride Channel,cardiomyocytes,DCPIB,ischemia,COS-7,KcsA,Potassium Channel,CPAE cell,Inhibitor,inhibit,swelling,rMCAO
4-[(2-Butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]butanoic acidCHEMBL152557GTPL4174orb1219386orb1309784SCHEMBL11025104SCHEMBL29440645CHEBI:91677
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,8
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 563
Physikochemische Eigenschaften
- Siedepunkt
- 593.8 · 593.8±50.0 °C(Predicted)
- Dichte
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- Löslichkeit
- 2 O; · insoluble in H2O; ≥49.8 mg/mL in EtOH; ≥50.8 mg/mL in DMSO
- Aggregatzustand
- solid
- pka
- 4.53 · 4.53±0.10(Predicted)
- Farbe
- White
- InChI
- 1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)
- InChIKey
- KHKGTPJPBOQECW-UHFFFAOYSA-N
- SMILES
- CCCCC1(Cc2cc(OCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Dam. 1 (100%)；Aquatic Chronic 4 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- risk_code
- 25-41
- hazard_code
- T
- safety_code
- 26-36/39-45
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenDCPIB is a potent, selective blocker of the volume-sensitive anion channel (VSAC) in rat pancreatic β-cells.
Anbieter44 Anbieter
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