Aeroplysinin(Aeroplysinin-1)
Aeroplysinin(Aeroplysinin-1) structure
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Common Name | Aeroplysinin(Aeroplysinin-1) | ||
|---|---|---|---|---|
| CAS Number | 28656-91-9 | Molecular Weight | 338.98100 | |
| Density | 2.01g/cm3 | Boiling Point | 479.6ºC at 760 mmHg | |
| Molecular Formula | C9H9Br2NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 243.8ºC | |
Use of Aeroplysinin(Aeroplysinin-1)Aeroplysinin 1 ((+)-Aeroplysinin-1), a secondary metabolite isolated from marine sponges, shows potent antibiotic effects on Gram-positive bacteria and exerts antiviral activity against HIV-1 (IC50=14.6 μM). Aeroplysinin 1 has anti-inflammatory, anti-angiogenic and anti-tumor activities. Aeroplysinin 1 induces apoptosis in endothelial cells[1][2]. |
Summary: Aeroplysinin 1, also known as (+)-aeroplysinin-1, is an antibacterial compound isolated from the sponge Verongia aerophoba, exhibiting cytotoxic activity against colon cancer cells by promoting β-catenin degradation. Chinese name: Aeroplysinin 1, CAS number: 28656-91-9, molecular formula: C9H9Br2NO3, molecular weight: 338.98100. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (+)-aeroplysinin-1 |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Aeroplysinin 1 ((+)-Aeroplysinin-1), a secondary metabolite isolated from marine sponges, shows potent antibiotic effects on Gram-positive bacteria and exerts antiviral activity against HIV-1 (IC50=14.6 μM). Aeroplysinin 1 has anti-inflammatory, anti-angiogenic and anti-tumor activities. Aeroplysinin 1 induces apoptosis in endothelial cells[1][2]. |
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| Related Catalog | |
| Target |
Bacterial HIV-1:14.6 μM (IC50) Apoptosis |
| 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[1]. Aeroplysinin-1 also exhibits an antiviral activity toward HIV-1 caused by inhibition of its reverse transcriptase activity[1]. Aeroplysinin 1 inhibits P. phosphoreum, C. wailesii, P. minimum and HIV with IC50s of 3.5, 5.6, 7.0 and 14.6 μM[1]. Aeroplysinin 1 inhibits human endothelial cells (EVLC-2, HMEC, RF-24, and HUVEC cells), with IC50s ranging from 2.6 to 4.7 μM[2]. (+)-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[3]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 2.01g/cm3 |
|---|---|
| Boiling Point | 479.6ºC at 760 mmHg |
| Molecular Formula | C9H9Br2NO3 |
| Molecular Weight | 338.98100 |
| Flash Point | 243.8ºC |
| Exact Mass | 336.89500 |
| PSA | 73.48000 |
| LogP | 1.53738 |
| Vapour Pressure | 3.27E-11mmHg at 25°C |
| Index of Refraction | 1.645 |
| InChIKey | BGYNLOSBKBOJJD-IUCAKERBSA-N |
| SMILES | COC1=C(Br)C(O)C(O)(CC#N)C=C1Br |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| AEROPLYSININ,APLYSINA AEROPHOBA |
| aeroplysinin 1 |
| 4-cyclohexadiene-1-acetonitrile,3,5-dibromo-1,6-dihydroxy-4-methoxy-(1s-tr |
| (1s-trans)-3,5-dibromo-1,6-dihydroxy-4-methoxy-2,4-cyclohexadiene-1-acetonit |
| AEROPLYSININ |
| Aeroplysinin I |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of (+)-aeroplysinin-1? |
| A: SMILES notation of (+)-aeroplysinin-1 is COC1=C(Br)C(O)C(O)(CC#N)C=C1Br. |
| Q: What is the English name of (+)-aeroplysinin-1? |
| A: The English name of (+)-aeroplysinin-1 is (+)-aeroplysinin-1. |
| Q: What is the CAS number of (+)-aeroplysinin-1? |
| A: CAS number of (+)-aeroplysinin-1 is 28656-91-9. |
| Q: What are the uses of (+)-aeroplysinin-1? |
| A: Main uses of (+)-aeroplysinin-1: Aeroplysinin 1 ((+)-Aeroplysinin-1), a secondary metabolite isolated from marine sponges, shows potent antibiotic effects on Gram-positive bacteria and exerts antiviral activity against HIV-1 (IC50=14.6 μM). Aeroplysinin 1 has anti-inflammatory, anti-angiogenic and anti-tumor activities. Aeroplysinin 1 induces apoptosis in endothelial cells[1][2]. |
| Q: What is the Chinese name of 28656-91-9? |
| A: Chinese name of 28656-91-9 is Aeroplysinin 1. |
| Q: What is the polar surface area (PSA) of (+)-aeroplysinin-1? |
| A: Polar surface area (PSA) of (+)-aeroplysinin-1 is 73.48000. |
| Q: What is the LogP of (+)-aeroplysinin-1? |
| A: LogP of (+)-aeroplysinin-1 is 1.53738. |
| Q: What is the molecular formula of (+)-aeroplysinin-1? |
| A: Molecular formula of (+)-aeroplysinin-1 is C9H9Br2NO3. |
| Q: What English synonyms does (+)-aeroplysinin-1 have? |
| A: English synonyms of (+)-aeroplysinin-1: AEROPLYSININ,APLYSINA AEROPHOBA, aeroplysinin 1, 4-cyclohexadiene-1-acetonitrile,3,5-dibromo-1,6-dihydroxy-4-methoxy-(1s-tr, (1s-trans)-3,5-dibromo-1,6-dihydroxy-4-methoxy-2,4-cyclohexadiene-1-acetonit, AEROPLYSININ, Aeroplysinin I. |
| Q: What is the boiling point of (+)-aeroplysinin-1? |
| A: Boiling point of (+)-aeroplysinin-1 is 479.6ºC at 760 mmHg. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |