HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
AS8351 · NSC51355 · NSC-51355 · NSC 51355 · AS-8351 ，S5772 · AS8351, 10 mM in DMSO · AS 8351 · N'-[(2-Hydroxy-1-naphthyl)methylene]isonicotinohydrazide
![Molekülstruktur von N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide](/img/chemical/4491.png)
Identifikatoren & physikalische Daten
| CAS No. | 796-42-9 |
|---|---|
| Summenformel | C17H13N3O2 |
| Durchschnittliche Molmasse | 291,3 g/mol |
| Monoisotopische Masse | 291,10077667 g/mol |
| SMILES | O=C(NN=Cc1c(O)ccc2ccccc12)c1ccncc1 |
| InChIKey | WQSHHAVECQJKLX-UHFFFAOYSA-N |
| PubChem CID | 4491 |
| ChEMBL | CHEMBL1698529 |
| EC No. | 105-778-6 |
| DTXSID | DTXSID301356849 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 407 |
| Schmelzpunkt | 180-182 °C (decomp)(Solvent: Ethanol) |
| Dichte | 1.270±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | Soluble in DMSO (45 mg/ml)ethanol (10 mg/ml with warming) |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 8.203±0.50(predicted) |
| Farbe | Yellow |
| Stabilität | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months. |
| InChI | 1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)/b19-11+ |
| InChIKey | WQSHHAVECQJKLX-YBFXNURJSA-N |
| SMILES | OC1=CC=C(C=CC=C2)C2=C1/C=N/NC(C3=CC=NC=C3)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
AS-8351 is a histone demethylase inhibitor. It has been used in combination with CHIR99021 , A 83-01 , BIX01294 , SC-1 , Y-27632 (Item No. 10005583), OAC2 , SU 16f , and JNJ-10198409 to induce reprogramming of human fetal lung fibroblasts into functional cardiomyocytes.