U111

(−)-trans-(1S,2S)-U-50488 hydrochloride hydrate

solid, ≥98% (HPLC)

• Synonym(s): trans-(1S,2S)-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide hydrochloride hydrate
• Empirical Formula (Hill Notation): C₁₉H₂₆Cl₂N₂O · HCl · xH₂O
• CAS Number: 114528-79-9
• Molecular Weight: 405.79 (anhydrous basis)
• MDL number: MFCD11044455
• PubChem Substance ID: 24278019
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: solid
• optical activity: [α]22/D -39.0 to -32.0°, c = 0.5 in methanol(lit.)
• storage condition: desiccated
• color: white
• solubility: H₂O: 13 mg/mL
• storage temp.: 2-8°C
• SMILES string: O.Cl.CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)Cc3ccc(Cl)c(Cl)c3
• InChI: 1S/C19H26Cl2N2O.ClH.H2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H;1H2/t17-,18-;;/m0../s1
• InChI key: UWPRPWMHQDPOFR-MPGISEFESA-N
• Gene Information: human ... OPRK1(4986)

Description

Application

(−)-trans-(1S,2S)-U-50488 hydrochloride hydrate (U-50488) has been used as a κ-opioid receptor (KOR) agonist has been used to study its effect on the increase of tidal volumes in adult red-eared slider turtles (Trachemys scripta).

Biochem/physiol Actions

Potent κ opioid receptor agonist; more potent enantiomer of (±)-trans-U-50488.

Preparation Note

(−)-trans-(1S,2S)-U-50488 hydrochloride hydrate is soluble in water at 13 mg/ml.

Safety Information

• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves