HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pracinostat hydrochloride
Fezolinetant NO · Fezolinetant HCl · Pracinostat Hydrochloride · Pracinostat Dihydrochloride
Identifikatoren & physikalische Daten
| CAS No. | 929016-98-8 |
|---|---|
| Summenformel | C20H32Cl2N4O2 |
| Durchschnittliche Molmasse | 431,4 g/mol |
| Monoisotopische Masse | 430,1902317 g/mol |
| SMILES | CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC.Cl.Cl |
| InChIKey | CHLPUMOYKYJFFH-PFNYCKIMSA-N |
| PubChem CID | 90664458 |
| ChEMBL | CHEMBL3215861 |
| DTXSID | DTXSID101352615 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 70,4 |
|---|---|
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 453 |
| InChI | InChI=1S/C20H30N4O2.ClH/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)1H/b12-10+ |
| InChIKey | RCLMPSZFYQJPQD-VHPXAQPISA-N |
| SMILES | C(N1C(=NC2=CC(/C=C/C(=O)NO)=CC=C12)CCCC)CN(CC)CC.Cl |
Anwendungen & Verwendung
Beschreibung
Pracinostat Dihydrochloride is a potent histone deacetylase (HDAC) inhibitor with an IC50 of 40-140 nM, used in cancer research. It also inhibits the activity of metallo-β-lactamase structural domain-containing protein 2 (MBLAC2) hydrolase with an EC50 of less than 10 nM.