1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride
• CAS No.: 18559-63-2
• Deprecated CAS: 14187-92-9
• Molecular Formula: C19H23 N O5 . Cl H
• Molecular Weight: 381.856
• Mol file: 18559-63-2.mol

Synonyms:AQ 110;AQ-110;AQ110;AQL 208;AQL-208;AQL208;CV 705;CV-705;CV705;Tetroquinol;Tretoquinol;Tretoquinol Hydrochloride;Tretoquinol Hydrochloride Anhydrous;Tretoquinol Hydrochloride, (S)-Isomer;Tretoquinol-(R);Tretoquinol-(S) HCl;Trimethoquinol;Trimetoquinol

Chemical Property of 1,2,3,4-Tetrahydro-1-(3,4,5-trimethoxyphenyl)-6,7-isoquinolinediol hydrochloride

Chemical Property:

• Vapor Pressure: 5.47E-12mmHg at 25°C
• Boiling Point: 533.3°Cat760mmHg
• Flash Point: 276.3°C
• PSA: 80.18000
• Density: 1.235g/cm³
• LogP: 2.88190
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 381.1343006
• Heavy Atom Count: 26
• Complexity: 409

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C=C3CC[NH2+]2)O)O.[Cl-]

Refernces

Tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety as potent, selective human β₃ adrenergic receptor agonists

10.1016/S0960-894X(00)00459-5

The research focuses on the development of potent and selective human β3 adrenergic receptor (AR) agonists, specifically tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety, for potential use in treating obesity. The study aimed to improve the selectivity and potency of these compounds over binding to and activation of β1 and β2 ARs. Key chemicals included trimetoquinol (TMQ), a potent human β3 AR agonist with limited selectivity, and various derivatives such as biphenyl, naphthyl, and aryloxy compounds. The researchers synthesized and tested several derivatives, finding that the 4,4-biphenyl derivative 9 was a potent full agonist with an EC50 of 6 nM and showed >300-fold selectivity over binding to β1 and β2 ARs. The naphthyloxy compound 18 exhibited excellent selectivity for the β3 AR, with an EC50 of 78 nM and >1000-fold selectivity over binding to β1 and β2 ARs. The study concluded that these derivatives represent a significant advancement in the design of structurally distinct human β3 AR agonists, potentially offering therapeutic benefits for obesity treatment.