Bms-191011
Grundinformationen
- CAS
202821-81-6- Standard-SMILES
O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O- InChIKey
QKOWACXSXTXRKA-UHFFFAOYSA-N- Summenformel
- C16H10ClF3N2O3
- Durchschnittliche Molmasse
- 370,71 g/mol
- Monoisotopische Masse
- 370,03320452
Überblick
3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one is a member of (trifluoromethyl)benzenes.
Namen und Bezeichner
- Bevorzugter Name
- Bms-191011
- IUPAC
- 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
- Englischer Name
- 3-[(5-CHLORO-2-HYDROXYPHENYL)METHYL]-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2(3H)-ONE
- Summenformel
- C16H10ClF3N2O3
- Molmasse
- 370.71
Namen und Synonyme
202821-81-6BMS-191011BMS 191011Bms-aLW7MXS978N1,3,4-Oxadiazol-2(3H)-one, 3-((5-chloro-2-hydroxyphenyl)methyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-DTXSID70174141BMS191011RefChem:120701DTXCID10966323-(5-Chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)-one
Weitere Namen anzeigen
-1,3,4-oxadiazol-2(3H)BMS-191011 >=98% (HPLC)BMS-191011, 10 mM in DMSO3-(5-Chloro-2-hydroxybenzyl)3-(5-chloro-2-hydroxybenzyl)-5-(4-(trifluoroMethyl)phenyl)-1,3,43-(5-chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)
3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2(3H)-oneMFCD097532853-(5-Chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)-phenyl)-1,3,4-oxadiazol-2(3H)-one3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one3-(5-Chloro-2-Hydroxybenzyl)-5-[4-(Trifluoromethyl)Phenyl]-1,3,4-Oxadiazol-2(3H)-OneUNII-LW7MXS978NC16H10ClF3N2O3-5-(4-(trifluoromethyl)
Datenbank-Bezeichner
- CAS
202821-81-6- PubChem CID
- 10474339
- DTXSID
DTXSID70174141- ChEMBL
CHEMBL45349- ChEBI
CHEBI:93672- UNII
- LW7MXS978N
- EC Number
- 806-268-2
- Nikkaji
- J2.015.928F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 62,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 535
Physikochemische Eigenschaften
- Siedepunkt
- 444 · 444.0±55.0 °C(Predicted)
- Dichte
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT
- Löslichkeit
- 20 mg/mL, · DMSO: soluble20mg/mL, clear (warmed)
- Aggregatzustand
- powder
- pka
- 9.27 · 9.27±0.43(Predicted)
- Farbe
- white to beige
- InChI
- 1S/C16H10ClF3N2O3/c17-12-5-6-13(23)10(7-12)8-22-15(24)25-14(21-22)9-1-3-11(4-2-9)16(18,19)20/h1-7,23H,8H2
- InChIKey
- QKOWACXSXTXRKA-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccc(cc1)C2=NN(C(=O)O2)Cc3c(ccc(c3)Cl)O
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]
P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4
Chemie und Industrie
Anwendungen
BeschreibungBMS 191011 is an activator of large-conductance calcium-activated potassium (KCa1.1/BK) channels that increases maximum potassium current to 126% of control in X. laevis oocytes expressing human KCa1.1 channels when used at a concentration of 1 μM. In vivo, BMS 191011 (10-100 μg/kg, i.v.) increases the diameter of retinal arterioles without affecting blood pressure or heart rate in rats, an effect that is reversed by the KCa1.1 channel blocker iberiotoxin .
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