Carazolol

Base Information

• Chemical Name: Carazolol
• CAS No.: 57775-29-8
• Molecular Formula: C18H22 N2 O2
• Molecular Weight: 298.385
• Hs Code.: 2933990090
• European Community (EC) Number: 260-945-1
• UNII: 29PW75S82A
• DSSTox Substance ID: DTXSID00866648
• Nikkaji Number: J12.594F
• Wikipedia: Carazolol
• Wikidata: Q5037818
• NCI Thesaurus Code: C77941
• Pharos Ligand ID: 7W3JK9WGW6XN
• ChEMBL ID: CHEMBL324665
• Mol file: 57775-29-8.mol

Synonyms:BM 51052;carazolol;carazolol, (+)-isomer;carazolol, (+-)-isomer;carazolol, (-)-isomer;carazolol, monohydrochloride;Suacron

Chemical Property of Carazolol

Chemical Property:

• Appearance/Colour: Yellowish solid
• Vapor Pressure: 5.16E-13mmHg at 25°C
• Melting Point: 133-137 ºC
• Boiling Point: 531.2 ºC at 760 mmHg
• Flash Point: 275.1 ºC
• PSA: 57.28000
• Density: 1.195 g/cm³
• LogP: 3.44970
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: insoluble in H2O; ≥14.8 mg/mL in DMSO; ≥3.9 mg/mL in EtOH
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 298.168127949
• Heavy Atom Count: 22
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

Carazolol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
• Uses: Carazolol is a promising high-affinity beta-adrenergic receptor ligand for the noninvasive determination of beta receptor status using PET Carazolol is a high-affinity, lipophilic, non-selective ligand of the β-adrenergic receptors (Kis = 0.114 and 0.4 nM for β2- and β3-adrenoceptors, respectively). It acts as a receptor antagonist (beta blocker) or inverse agonist for β1 and β2 receptors but functions as an agonist at the β3-adrenergic receptor.
• Therapeutic Function: Beta-adrenergic blocker

Technology Process of Carazolol

There total 2 articles about Carazolol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 63.0%

isopropylamine (75-31-0) + 4-(2,3-epoxypropoxy)carbazole (51997-51-4,95093-96-2) → carazolol (57775-29-8)

Guidance literature:

In methanol; for 6h; Reflux;

DOI:10.1021/acs.jmedchem.0c00433

Reference yield:

→ carazolol (57775-29-8)

Guidance literature:

Reference yield: 74.0%

carazolol (57775-29-8) + 4-chlorobenzenesulfonyl chloride (98-60-2) → N-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)-4-chloro-N-isopropylbenzenesulfonamide

Guidance literature:

With triethylamine; In tetrahydrofuran; Heating;

DOI:10.1080/10426507.2017.1288123

upstream raw materials:

isopropylamine

4-(2,3-epoxypropoxy)carbazole

Downstream raw materials:

NSC 305336

(S)-Carazolol

Refernces

• 1、 -. "THERAPY FOR COMPLICATIONS OF DIABETES". . . Retrieved 2009/07/02.
• 2、 -. "Method for treating resistant hypertension". . . Retrieved 2008/06/13.