HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
9-{5-O-[{[{3,4-Dihydroxy-4-[(3-hydroxy-3-{[2-(octanoylsulfanyl)ethyl]imino}propyl)imino]-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
Octanoyl-CoA · CAPRYLYL COENZYME A · OCTANOYL COENZYME A · N-octanoyl coenzyme A · Coenzyme A, S-octanoate · N-OCTANOYL COENZYME A (C8 · Octanoyl Coenzyme A K salt · N-OCTANOYL COENZYME A (C8:0)
![Molekülstruktur von 9-{5-O-[{[{3,4-Dihydroxy-4-[(3-hydroxy-3-{[2-(octanoylsulfanyl)ethyl]imino}propyl)imino]-2,2-dimethylbutoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine](/img/chemical/439608.png)
Identifikatoren & physikalische Daten
| CAS No. | 1264-52-4 |
|---|---|
| Summenformel | C29H50N7O17P3S |
| Durchschnittliche Molmasse | 893,74 g/mol |
| Monoisotopische Masse | 893,21967403 g/mol |
| SMILES | CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O |
| InChIKey | KQMZYOXOBSXMII-FFJUWABQSA-N |
| PubChem CID | 439608 |
| DTXSID | DTXSID90925531 |
Chemische & physikalische Eigenschaften
| Dichte | 1.71±0.1 g/cm3(Predicted) |
|---|---|
| Lagerbedingungen | −20°C |
| pKa (Säurekonstante) | 1.16±0.50(Predicted) |
Sicherheit & Vorschriften
| F | 10-21 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
Anwendungen & Verwendung
Verwenden
A potassium salt form of Octanoyl Coenzyme A (CAS# 1264-52-4) is an enzyme and an AMACR inhibitor, which is a promising novel drug target for prostate and other cancers.