Carazolol hydrochloride - Moligand™ , Antagonist of β 2-adrenoceptor;Agonist of β 3-adrenoceptor, CAS No.51997-43-4, Antagonist of β 2-adrenoceptor;Agonist of β 3-adrenoceptor

CAS: 51997-43-4 Cat. No.: C276012 Molecular Weight: 334.8

GRADE & PURITY Moligand™

Synonyms

(RS)-Carazololhydrochlorid | Carazolol Hydrochloride Salt | Q27259666 | starbld0016805 | 1-((9H-Carbazol-4-yl)oxy)-3-(isopropylamino)propan-2-ol hydrochloride | NSC305336 | NSC-305336 | 2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((1-methylethyl)amino)-, hydroc

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

(RS)-Carazololhydrochlorid | Carazolol Hydrochloride Salt | Q27259666 | starbld0016805 | 1-((9H-Carbazol-4-yl)oxy)-3-(isopropylamino)propan-2-ol hydrochloride | NSC305336 | NSC-305336 | 2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((1-methylethyl)amino)-, hydroc

Specifications & Purity

Moligand™

Biochemical and Physiological Mechanisms

Promising high-affinity beta-adrenoceptor ligand for the noninvasive determination of beta receptor status using PET.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST, ANTAGONIST

Mechanism of action

Antagonist of β 2-adrenoceptor;Agonist of β 3-adrenoceptor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Names and Identifiers

• Canonical Smiles: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O.Cl
• IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
• InChIKey: DXYNUICMBSWZMR-UHFFFAOYSA-N
• INCHI: 1S/C18H22N2O2.ClH/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16;/h3-9,12-13,19-21H,10-11H2,1-2H3;1H
• Isomeric SMILES: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O.Cl
• Molecular Weight: 334.8
• Reaxy-Rn: 15611605
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15611605&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indoles Phenol ethers Alkyl aryl ethers Pyrroles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indole - Phenol ether - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrochloride - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ADRB2 Tclin Beta-2 adrenergic receptor (1 Activities)

Discover Target: ADRB2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADRB3 Tclin Beta-3 adrenergic receptor (3 Activities)

Discover Target: ADRB3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: DMSO
• Molecular Weight: 334.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 334.145 Da
• Monoisotopic Mass: 334.145 Da
• Topological Polar Surface Area: 57.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 350.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3