Carbazeran - Moligand™, ≥98% , CAS No.70724-25-3

CAS: 70724-25-3 Cat. No.: C769227 Molecular Weight: 360.41 EC Number: 804-246-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

UK-31557 | UK31557 | UK-31,557 | UK31,557 | UK 31557 | UK 31,557 | N-Ethyl-carbamic acid 1-(6,7-dimethoxy-1-phthalazinyl)-4-piperidinyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Carbazeran, a potent phosphodiesterase inhibitor, is aldehyde oxidase substrate. Carbazeran can be used for the research of metabolic disease.

Aldehyde oxidase (AO) substrate; inotropic agent and phosphodiesterase inhibitor
Carbazeran is an Aldehyde oxidase (AO) substrate and a phosphodiesterase inhibitor that produces concentration-dependent positive inotropic responses. In humans, the compound is almost completely cleared via 4-hydroxylation to the phthalazinone metabolite by AO.

Specifications

Synonyms

UK-31557 | UK31557 | UK-31, 557 | UK31, 557 | UK 31557 | UK 31, 557 | N-Ethyl-carbamic acid 1-(6, 7-dimethoxy-1-phthalazinyl)-4-piperidinyl ester

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCNC(=O)OC1CCN(CC1)C2=NN=CC3=CC(=C(C=C32)OC)OC
• IUPAC Name: [1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl] N-ethylcarbamate
• InChIKey: QJGVXJYGDBSPSJ-UHFFFAOYSA-N
• INCHI: 1S/C18H24N4O4/c1-4-19-18(23)26-13-5-7-22(8-6-13)17-14-10-16(25-3)15(24-2)9-12(14)11-20-21-17/h9-11,13H,4-8H2,1-3H3,(H,19,23)
• Isomeric SMILES: CCNC(=O)OC1CCN(CC1)C2=NN=CC3=CC(=C(C=C32)OC)OC
• WGK Germany: 3
• Alternate CAS: 153473-94-0
• Molecular Weight: 360.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalazines
• Alternative Parents: Dialkylarylamines Anisoles Aminopyridazines Alkyl aryl ethers Piperidines Imidolactams Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazine - Anisole - Dialkylarylamine - Alkyl aryl ether - Aminopyridazine - Piperidine - Imidolactam - Benzenoid - Pyridazine - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 360.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 360.18 Da
• Monoisotopic Mass: 360.18 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 458.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1