Bretazenil
Bretazenil structure
|
Common Name | Bretazenil | ||
|---|---|---|---|---|
| CAS Number | 84379-13-5 | Molecular Weight | 418.284 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 594.3±50.0 °C at 760 mmHg | |
| Molecular Formula | C19H20BrN3O3 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 313.2±30.1 °C | |
Use of BretazenilBretazenil, also known as Ro 16-6028, is GABA A receptor agonist potentially for the treatment of anxiety disorders. Bretazenil differs from traditional 1,4-benzodiazepines by being a partial agonist and because it binds to α1, α2, α3, α4, α5 and α6 subunit containing GABAA receptor benzodiazepine receptor complexes. 1,4-benzodiazepines bind only to α1, α2, α3 and α5 GABAA benzodiazepine receptor complexes. |
| Name | Bretazenil |
|---|---|
| Synonym | More Synonyms |
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 594.3±50.0 °C at 760 mmHg |
| Molecular Formula | C19H20BrN3O3 |
| Molecular Weight | 418.284 |
| Flash Point | 313.2±30.1 °C |
| Exact Mass | 417.068787 |
| PSA | 64.43000 |
| LogP | 2.52 |
| Appearance of Characters | solid | white |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.685 |
| InChIKey | LWUDDYHYYNNIQI-ZDUSSCGKSA-N |
| SMILES | CC(C)(C)OC(=O)c1ncn2c1C1CCCN1C(=O)c1c(Br)cccc1-2 |
| Storage condition | 2-8°C |
| Water Solubility | DMSO: 24 mg/mL, soluble |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Safety Phrases | 22-24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | NJ5899850 |
|
~%
Bretazenil CAS#:84379-13-5 |
| Literature: Australian Journal of Chemistry, , vol. 52, # 11 p. 1061 - 1069 |
|
~%
Bretazenil CAS#:84379-13-5 |
| Literature: Journal of Labelled Compounds and Radiopharmaceuticals, , vol. 38, # 9 p. 835 - 845 |
![(S)-6-Bromo-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione structure](https://image.chemsrc.com/caspic/244/90450-72-9.png)
| Precursor 1 | |
|---|---|
| DownStream 0 | |
|
A Comparison of the α2/3/5 Selective Positive Allosteric Modulators L-838,417 and TPA023 in Preclinical Models of Inflammatory and Neuropathic Pain.
Adv. Pharmacol. Sci. 2011 , 608912, (2011) GABA(A) receptors containing α2/3 subunits are current targets in the battle to develop new pain medications, as they are expressed in the spinal cord where increasing inhibitory drive should result i... |
|
|
A comparison of chlordiazepoxide, bretazenil, L838,417 and zolpidem in a validated mouse Vogel conflict test.
Psychopharmacology 182(4) , 475-84, (2005) GABAA receptors containing an alpha2 subunit are proposed to mediate the anxiolytic effect of benzodiazepines (BZ) based on studies in transgenic mice using unconditioned models of anxiety. Conditione... |
|
|
Contextual fear conditioning and baseline startle responses in the rat fear-potentiated startle test: a comparison of benzodiazepine/gamma-aminobutyric acid-A receptor agonists.
Behav. Pharmacol. 11(6) , 495-504, (2000) In the rat, fear-potentiated startle (FPS) test animals are first trained to associate brief light presentations with a mild electric footshock and then tested for startle responses to acoustic stimul... |
| tert-Butyl (13aS)-8-bromo-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate |
| 2-Methyl-2-propanyl (13aS)-8-bromo-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate |
| 9H-Imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid, 8-bromo-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester, (13aS)- |
| Ro 16-6028 |
| Ro-16-6028 |
| tert-Butyl (S)-8-Bromo-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate |
| Bretazenil |