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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
(+)-Aeroplysinin-1
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| Category | Human immunodeficiency Virus (HIV) |
| CAS | 28656-91-9 |
| Description | (+)-Aeroplysinin-1 is a metabolite originally isolated from the marine sponge V. aerophoba with diverse biological activity. It is a tertiary alcohol. |
Product Information
| Synonyms | NSC 170364; Aeroplysinin 1; (+)-shy-Aeroplysinin-1; (1S,6R)-3,5-Dibromo-1,6-dihydroxy-4-methoxy-2,4-cyclohexadiene-1-acetonitrile; Aeroplysinin; Aeroplysinin I; (1S-trans)-3,5-dibromo-1,6-dihydroxy-4-methoxy-2,4-cyclohexadiene-1-acetonitrile |
| IUPAC Name | 2-[(1S,6R)-3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl]acetonitrile |
| Molecular Weight | 338.98 |
| Molecular Formula | C9H9Br2NO3 |
| Canonical SMILES | COC1=C(C(C(C=C1Br)(CC#N)O)O)Br |
| InChI | InChI=1S/C9H9Br2NO3/c1-15-7-5(10)4-9(14,2-3-12)8(13)6(7)11/h4,8,13-14H,2H2,1H3/t8-,9-/m0/s1 |
| InChIKey | BGYNLOSBKBOJJD-IUCAKERBSA-N |
| Boiling Point | 479.6°C at 760 mmHg |
| Melting Point | 120-121°C |
| Flash Point | 243.8°C |
| Purity | ≥95% |
| Density | 2.01 g/cm3 |
| Solubility | Soluble in Acetone, Methanol |
| Appearance | Solid Powder |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 382 |
| Exact Mass | 336.89500 |
| Index Of Refraction | 1.645 |
| In Vitro | Aeroplysinin 1 shows anti-proliferative effect against tumor cells (HT-1080, HTC-116, HeLa, THP-1, NOMO-1 and HL-60 cells), with IC50s ranging from 2.3 to 17 μM. It also exhibits an antiviral activity toward HIV-1 caused by inhibition of its reverse transcriptase activity. Aeroplysinin 1 inhibits human endothelial cells (EVLC-2, HMEC, RF-24, and HUVEC cells), with IC50s ranging from 2.6 to 4.7 μM. (+)-Aeroplysinin-1 (0.25-0.5 μM) blocks the EGF-dependent proliferation of both MCF-7 and ZR-75-1 human breast cancer cells and inhibits the ligand-induced endocytosis of the EGF receptor in vitro. |
| PSA | 73.48000 |
| Target | Bacterial HIV-1:14.6 μM (IC50) Apoptosis |
| Vapor Pressure | 3.27E-11mmHg at 25°C |
| XLogP3-AA | 0.5 |