Synonym
Ro 15-3890; Ro 153890; Ro-15-3890.
IUPAC/Chemical Name
4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-
InChi Key
SFVXVWJBSJCRJO-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H10FN3O3/c1-16-5-10-11(13(19)20)15-6-17(10)9-3-2-7(14)4-8(9)12(16)18/h2-4,6H,5H2,1H3,(H,19,20)
SMILES Code
O=C(C1=C(CN2C)N(C=N1)C3=CC=C(F)C=C3C2=O)O
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Biological target:
Ro 04-5595 has an EC 50 of 186 ± 32 nmol/L. Ro 04-5595 was predicted to bind the EVT-101 binding site. Ro 04-5595 hydrochloride is a selective antagonist for GluN2B containing NMDA receptors (Ki = 31 nM).
In vitro activity:
The specific activities of purified esterase isozyme were 5.8 nmol/(min*mg protein) protein for the formation of flumazenil acid. The purified enzyme obeys simple Michaelis-Menten kinetics with a K(M) value of 665 microM for flumazenil acid.
Reference: J Pharm Pharm Sci. 1998 Jan-Apr;1(1):38-46. https://pubmed.ncbi.nlm.nih.gov/10942971/
In vivo activity:
To be determined
|
Solvent |
mg/mL |
mM |
| Solubility |
| DMSO |
100.0 |
363.32 |
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
275.24
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
Formulation protocol:
1. Kleingeist B, Böcker R, Geisslinger G, Brugger R. Isolation and pharmacological characterization of microsomal human liver flumazenil carboxylesterase. J Pharm Pharm Sci. 1998 Jan-Apr;1(1):38-46. PMID: 10942971.
In vitro protocol:
1. Kleingeist B, Böcker R, Geisslinger G, Brugger R. Isolation and pharmacological characterization of microsomal human liver flumazenil carboxylesterase. J Pharm Pharm Sci. 1998 Jan-Apr;1(1):38-46. PMID: 10942971.
In vivo protocol:
To be determined
1: Halldin C, Stone-Elander S, Thorell JO, Persson A, Sedvall G. 11C-labelling of Ro 15-1788 in two different positions, and also 11C-labelling of its main metabolite Ro 15-3890, for PET studies of benzodiazepine receptors. Int J Rad Appl Instrum A. 1988;39(9):993-7. doi: 10.1016/0883-2889(88)90044-5. PMID: 2848785.
2: Debruyne D, Abadie P, Barre L, Albessard F, Moulin M, Zarifian E, Baron JC. Plasma pharmacokinetics and metabolism of the benzodiazepine antagonist [11C] Ro 15-1788 (flumazenil) in baboon and human during positron emission tomography studies. Eur J Drug Metab Pharmacokinet. 1991 Apr-Jun;16(2):141-52. doi: 10.1007/BF03189951. PMID: 1657612.
3: Barre L, Debruyne D, Abadie P, Moulin M, Baron JC. A comparison of methods for the separation of [11C]Ro 15-1788 (flumazenil) from its metabolites in the blood of rabbits, baboons and humans. Int J Rad Appl Instrum A. 1991;42(5):435-9. doi: 10.1016/0883-2889(91)90102-7. PMID: 1646188.
4: Janssen MJ, Ensing K, de Zeeuw RA. A fluorescent receptor assay for benzodiazepines using coumarin-labeled desethylflumazenil as ligand. Anal Chem. 2001 Jul 1;73(13):3168-73. doi: 10.1021/ac001480f. PMID: 11467569.
