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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
Amustaline dihydrochloride
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 210584-54-6 |
| Description | Amustaline dihydrochloride is a nucleic acid targeted alkylator that is an effective pathogen inactivation agent for blood components containing red blood cells. It has three components: an acridine anchor (an intercalator that targets nucleic acids non-covalently), an effector (a bis-alkylator group that reacts with nucleophiles), and a linker (a small flexible carbon chain containing a labile ester bond that hydrolyzes at neutral pH to yield non-reactive breakdown products). |
Product Information
| Synonyms | S-303 dihydrochloride; 2-[Bis(2-chloroethyl)amino]ethyl N-9-acridinyl-β-alaninate dihydrochloride; β-Alanine, N-9-acridinyl-, 2-[bis(2-chloroethyl)amino]ethyl ester, hydrochloride (1:2) |
| IUPAC Name | 2-[bis(2-chloroethyl)amino]ethyl 3-(acridin-9-ylamino)propanoate;dihydrochloride |
| Molecular Weight | 507.28 |
| Molecular Formula | C22H27Cl4N3O2 |
| Canonical SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCC(=O)OCCN(CCCl)CCCl.Cl.Cl |
| InChI | InChI=1S/C22H25Cl2N3O2.2ClH/c23-10-13-27(14-11-24)15-16-29-21(28)9-12-25-22-17-5-1-3-7-19(17)26-20-8-4-2-6-18(20)22;;/h1-8H,9-16H2,(H,25,26);2*1H |
| InChIKey | WEOLKSYHLNAIRH-UHFFFAOYSA-N |
| Boiling Point | 575.2°C at 760 mmHg |
| Flash Point | 301.7°C |
| Purity | ≥97% |
| Solubility | Soluble in DMSO |
| Appearance | Solid |
| Storage | Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years) |
| Complexity | 469 |
| Exact Mass | 507.082788 |
| In Vitro | S(cid:0)303 (200 μM; 20 h) and glutathione (GSH; 20 mM) inactivates high titres of Chikungunya virus (CHIKV) in red blood cells (RBCs). S-303 (200 μM; 20 h) and GSH (2 mM) inactivates >6.5 logs of HIV, >5.7 logs of Bluetongue virus, >7.0 logs of Yersinia enterocolitica, 4.2 logs of Serratia marcescens, and 7.5 logs of Staphylococcus epidermidis in whole blood experiments. S-303 (200 μM; 20 h) and GSH (20 mM) inactivates approximately 5 logs or greater of Y. enterocolitica, E. coli, S. marcescens, S. aureus, HIV, bovine viral diarrhoea virus, bluetongue virus and human adenovirus 5 in RBC. |
| In Vivo | S-303 RBCs (a single transfusion) is well tolerated in rats (50 μmol/kg) and dogs (70 μmol/kg). S-303 RBCs (repeated transfusions) is well tolerated in rats (10 μmol/kg) and dogs (10 μmol/kg) with no histopathologic evidence of organ toxicity. |
| PSA | 57.69000 |
| Target | HIV; Bacterial |
| Vapor Pressure | 3.1E-13mmHg at 25°C |
