AL-34662

HCID 135453290CAS 210580-75-9

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Basic information

Standard SMILES: C[C@H](N)Cn1ncc2ccc(O)cc21
InChIKey: WBYHTZYHAFNBKW-ZETCQYMHSA-N
Molecular formula: C10H13N3O
Average molar mass: 191.23 g/mol
Monoisotopic mass: 191.10586204

Names & identifiers

Preferred name: AL-34662
IUPAC: 1-[(2S)-2-aminopropyl]indazol-6-ol
English name: 1-((S)-2-Amino-propyl)-1H-indazol-6-ol
Molecular formula: C10H13N3O
Molecular weight: 191.23

Names & synonyms

AL-34662AL 346621Q6O947QMH1H-Indazol-6-ol, 1-(2-aminopropyl)-AL-34497RefChem:915334AL34662210580-75-91-((S)-2-aminopropyl)-1H-indazol-6-ol1H-Indazol-6-ol, 1-[(2S)-2-aminopropyl]-1-[(2S)-2-AMINOPROPYL]INDAZOL-6-OLCHEMBL371300

Show more names

1-((S)-2-Amino-propyl)-1H-indazol-6-ol

1-[(2S)-2-aminopropyl]-1H-indazol-6-ol(S)-1-(2-Aminopropyl)-1H-indazol-6-ol1-[(2S)-2-aminopropyl]-2H-indazol-6-oneCID 9834183AL 34497UNII-1Q6O947QMHSCHEMBL475894orb1945047

Database identifiers

CAS: 210580-75-9
PubChem CID: 135453290
DTXSID: DTXSID901027133
ChEMBL: CHEMBL371300
UNII: 1Q6O947QMH
Nikkaji: J2.569.760J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 64.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 170 · 170-172 °C(Solv: dichloromethane (75-09-2))
Boiling point: 372.8 · 372.8±22.0 °C(Predicted)
Density: 1.31 · 1.31±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
solubility: 1 mg/ml · ≤1mg/ml in ethanol;10mg/ml in DMSO;10mg/ml in dimethyl formamide
form: crystalline solid
pka: 9.3 · 9.30±0.40(Predicted)
color: White to off-white
FDA UNII: 1 Q6O947QMH · 1Q6O947QMH

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationEndogenous compounds and drugs that specifically stimulate SEROTONIN 5-HT2 RECEPTORS. Included under this heading are agonists for one or more of the specific 5-HT2 receptor subtypes.

Applications

UsesAL-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].