HuagongsheHuagongshe Chemistry Print Report · For research reference only
AL-34662
AL-34662 · AL 34497 · 1-((S)-2-Amino-propyl)-1H-indazol-6-ol · 1-[(2S)-2-Aminopropyl]-1H-indazol-6-ol · 1H-Indazol-6-ol, 1-[(2S)-2-aminopropyl]-
Identifiers & Physical Properties
| CAS No. | 210580-75-9 |
|---|---|
| Molecular formula | C10H13N3O |
| Average molar mass | 191.23 g/mol |
| Monoisotopic mass | 191.10586204 g/mol |
| SMILES | C[C@H](N)Cn1ncc2ccc(O)cc21 |
| InChIKey | WBYHTZYHAFNBKW-ZETCQYMHSA-N |
| PubChem CID | 135453290 |
| ChEMBL | CHEMBL371300 |
| DTXSID | DTXSID901027133 |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 64.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 200 |
| Melting point | 170-172 °C(Solv: dichloromethane (75-09-2)) |
| Boiling point | 372.8±22.0 °C(Predicted) |
| Density | 1.31±0.1 g/cm3(Predicted) |
| Storage conditions | Store at -20°C |
| Solubility | ≤1mg/ml in ethanol10mg/ml in DMSO10mg/ml in dimethyl formamide |
| Physical state | crystalline solid |
| pKa (acidity coefficient) | 9.30±0.40(Predicted) |
| Color | White to off-white |
| FDA UNII | 1Q6O947QMH |
Applications & Uses
Uses
AL-34662 is a selective 5-HT2A receptoragonist (IC50: 0.77 nM and 1.5 nM for rat and human 5-HT2 receptor). AL-34662 is also a weak α-1D adrenergic agonist activity (EC50:0.4 μM). AL-34662 is an ocular hypotensive agent[1][2].