ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Grundinformationen
- CAS
91917-65-6- Standard-SMILES
CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(N=[N+]=[N-])ccc1-2- InChIKey
CFSOJZTUTOQNIA-UHFFFAOYSA-N- Summenformel
- C15H14N6O3
- Durchschnittliche Molmasse
- 326,31 g/mol
- Monoisotopische Masse
- 326,11273833
Überblick
8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester is an organic heterotricyclic compound and an organonitrogen heterocyclic compound.
Namen und Bezeichner
- Bevorzugter Name
- ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
- IUPAC
- ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
- Englischer Name
- RO 15-4513
- Summenformel
- C15H14N6O3
- Molmasse
- 326.32
Namen und Synonyme
91917-65-6Ro15-4513Ro 15-4513RO-154513ethyl 8-azido-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylateRo-15-4513S5XGL82O5Y4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-azido-5,6-dihydro-5-methyl-6-oxo-, ethyl esterethyl 12-azido-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylateUNII-S5XGL82O5YAzidomazenil[3H]Ro154513
Weitere Namen anzeigen
Ro15 4513,Ro154513,Ro-15-4513RO 15-4513 ETHANOL ANTAGONISTEthyl-8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo-1,4-benzodiazepine-3-carboxylateETHYL 8-AZIDO-6-DIHYDRO-5-METHYL-6-OXO-4H-IMIDAZO[1,5-A]-[1,4]BENZODIAZEPINE-3-CARBOXYLATE8-Azido-5,6-dihydro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 8-azido-5,6-dihydro-6-oxo-, ethyl ester8-AZIDO-5,6-DIHYDRO-5-METHYL-6-OXO-4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE-3-CARBOXYLIC ACID ETHYL ESTER
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 78,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 563
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionWhite or beige solid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- storage temp.
- 4 °C · Desiccate at +4°C
- Löslichkeit
- 45 % · 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.8 mg/mL
- Aggregatzustand
- solid
- Farbe
- tan
- Wasserlöslichkeit
- 45 % · 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.8mg/mLH2O: insolublemethanol: soluble
- InChI
- 1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
- InChIKey
- CFSOJZTUTOQNIA-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1ncn-2c1CN(C)C(=O)c3cc(ccc-23)N=[N+]=[N-]
- CAS Datenbank
- 91917 · 91917-65-6
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesA partial inverse agonist of benzodiazepine receptors. [ChemIDplus]
Anwendungen
BeschreibungRo 15-4513 is a partial inverse agonist of benzodiazepine receptors. It acts as a competitive antagonist, and can therefore be an antidote to the acute impairment caused by alcohol. Ro 15-4513's Ki values are 3.1 and 5.3 nM for diazepam-insensitive (DI) and diazepam-sensitive (DS) benzodiazepine receptors respectively. Ro 15-4513 displays partial agonism at DI α4- and α6-GABAA receptors.
VerwendenRo 15-4513 has been used as a benzodiazepine (Bz) inverse agonist in rats and to test its binding with diazepam-sensitive (DS) receptors in in vitro radioligand binding studies.
Anbieter15 Anbieter
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]
銳迪國際科技有限公司18024082417 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [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]
上海陶术生物科技股份有限公司
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