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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
- Others
- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Tobacco mosaic virus (TMV)
- Vesicular stomatitis virus (VSV)
- Virus Protease
- West Nile virus
- Antiviral intermediates
BRL44385
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| Category | Herpes simplex Virus (HSV) |
| CAS | 114778-60-8 |
| Description | BRL44385, a novel guanine analogue, is a potent and selective inhibitor of herpes simplex virus types 1 and 2 and varicella zoster virus. |
Product Information
| Synonyms | 2-amino-9-(3-hydroxypropoxy)-3H-purin-6-one; 9-(3-hydroxypropoxy)guanine; BRL 44385; BRL-44385 |
| IUPAC Name | 2-amino-9-(3-hydroxypropoxy)-1H-purin-6-one |
| Molecular Weight | 225.2 |
| Molecular Formula | C8H11N5O3 |
| Canonical SMILES | C1=NC2=C(N1OCCCO)NC(=NC2=O)N |
| InChI | 1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-4-13(6)16-3-1-2-14/h4,14H,1-3H2,(H3,9,11,12,15) |
| InChIKey | UWCACOXRVYDNEE-UHFFFAOYSA-N |
| Boiling Point | 543.6°C at 760mmHg |
| Flash Point | 282.5°C |
| Purity | >98.00% |
| Density | 1.77±0.1 g/cm3 |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Solid powder |
| Storage | Store in a cool and dry place (or refer to the Certificate of Analysis). |
| Animal Admin | BRL44385 is administered to female Balb/c mice weighing approximately 20 g by oral gavage at a single dose of 0.2 mmol 1% carboxymethyl cellulose at 0.1 mmol 1% carboxymethyl cellulose. Keep the food for 18 h before the start of the experiment. Pooling an equal volume (0.2 mL) from three mice at each time point and adding 0.6 mL of 16% trichloroacetic acid. After centrifugation, add 0.5 mL of supernatant to 0.1 mL of saturated NaHCO3 aqueous solution, then add 0.6 mL of 0.4 mM NH4 OAc (pH 6.0) and analyze the mixture by HPLC. |
| Complexity | 308 |
| Exact Mass | 225.08618923 |
| Index Of Refraction | 1.762 |
| In Vivo | BRL44385 is a selective antiherpes virus agent. After oral administration, BRL 55792 is well absorbed and provides high and long concentrations of BRL44385 in the blood. In mice 15 minutes and 60 min after administration of a single oral dose of BRL 55792, the concentration of BRL44385 in the blood was significantly higher than that after oral administration of BRL44385 or BRL46720, and the bioavailability of BRL 44385 for oral BRL 55792 was 66% for intravenous injection of BRL44385 sodium salt at the same dose. |
| PSA | 120.04000 |
| Target | HSV-1 and HSV2 |
| Vapor Pressure | 1.2E-12mmHg at 25°C |
| XLogP3-AA | -1 |
