HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-chloro-1H-indazol-3-amine
Zinc00154498 · Einecs 240-925-9 · 6-chloro-1H-indazol-3-amine · 3-Amino-6-chloro-1H-indazole · 1H-Indazol-3-amine, 6-chloro- · 6-chloro-1H-indoleazole-3-amine · 6-Chloro-1H-Indazol-3-Amine (6-Chloro-1H-Indazol-3-Yl)Amine
Identifikatoren & physikalische Daten
| CAS No. | 16889-21-7 |
|---|---|
| Summenformel | C7H6ClN3 |
| Durchschnittliche Molmasse | 167,59 g/mol |
| Monoisotopische Masse | 167,02502487 g/mol |
| SMILES | Nc1n[nH]c2cc(Cl)ccc12 |
| InChIKey | BPTYMRSBTUERSW-UHFFFAOYSA-N |
| PubChem CID | 85628 |
| EC No. | 240-925-9 |
| DTXSID | DTXSID20168616 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 153 |
| Siedepunkt | 408.7±25.0 °C(Predicted) |
| Dichte | 1.533±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C(protect from light) |
| pKa (Säurekonstante) | 13.72±0.40(Predicted) |
| InChI | InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11) |
| InChIKey | BPTYMRSBTUERSW-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC(Cl)=C2)C(N)=N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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. |
|---|---|
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Starting from 6-chloro-1H-indazol-3-amine, the EDC/HOAt promoted coupling with the (S)-carboxylic acid derivative furnished (S)-1-(3-Amino-6-chloro-1H-indazol-1-yl)-2-methyl-3-phenoxypro-pan-1-one. This synthesis was performed to explore the structure-activity relationships (SAR) by substituting the indazole scaffold at the 6-position with a chlorine atom, facilitating the identification of novel CFTR potentiators.[1]