3-(3-Formamidosalicylamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylisovalerat
dihydrosamidin · ANTIMYCIN A1 · 1,5-Dioxonane butanoic acid deriv. · -dioxo-1,5-dioxonan-3-yl)salicylamide · isovalericacid,8-esterwith3-formamido-n-(7-hexyl-8-hydroxy-4,9-dimethyl-2,6 · 3-(3-formamidosalicylamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate · [3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate · [3-[(3-formamido-2-hydroxy-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Identifikatoren & physikalische Daten
| CAS No. | 642-15-9 |
|---|---|
| Summenformel | C28H40N2O9 |
| Durchschnittliche Molmasse | 548,6 g/mol |
| Monoisotopische Masse | 548,27338086 g/mol |
| SMILES | CCCCCCC1C(=O)OC(C)C(NC(=O)c2cccc(NC=O)c2O)C(=O)OC(C)C1OC(=O)CC(C)C |
| InChIKey | UIFFUZWRFRDZJC-UHFFFAOYSA-N |
| PubChem CID | 12550 |
| ChEMBL | CHEMBL1231114 |
| EC No. | 211-380-4 |
| DTXSID | DTXSID20859633 |
| Lokaler Name | 3-(3-Formamidosalicylamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-ylisovalerat |
Chemische & physikalische Eigenschaften
| XLogP | 5,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 157 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 39 |
| Formalladung | 0 |
| Komplexität | 849 |
| Schmelzpunkt | 149.5℃ |
| Siedepunkt | 620.81°C (rough estimate) |
| Dichte | 1.2468 (rough estimate) |
| Brechungsindex | 1.5800 (estimate) |
| Lagerbedingungen | −20°C |
| Löslichkeit | DMF: SolubleDMSO: SolubleEthanol: SolubleMethanol: Soluble |
| Aggregatzustand | A solid |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| UN-Transportnummer | 3172 |
| RTECS-Nr. | NY1503500 |
| R-Sätze (R) | 23/24/25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 36/37/39-45 |
| Gefahrenklasse | 6.1(a) |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Beschreibung
Antimycin A1 is an active component of the antimycin A antibiotic complex. It inhibits electron transport and is active against the plant pathogenic fungus G. cingulate. Antimycin A1 (3.3-160 μM) induces the synthesis of carotenoids in M. marinum. It also inhibits ATP-citrate lyase (Ki = 29.5 μM).
Verwenden
Antimycin A1 is the most hydrophobic of the four analogues of the antimycin A complex. Like all antimycins, antimycin A1 exhibits potent antifungal, anthelmintic, insecticidal, antiviral and antitumor activity across a range of bioassays. Although broadly active as respiration inhibitors, more recent investigation has highlighted the importance of individual members of the complex as bioprobes. Antimycin A1 inhibits angiogenesis via a decrease in VEGF production caused by inhibition of HIF-1a activation.