Fenquizone - Moligand™, ≥97% , CAS No.20287-37-0

CAS: 20287-37-0 Cat. No.: F351066 Molecular Weight: 337.78

GRADE & PURITY Moligand™, ≥97%

Synonyms

DTXSID10864933 | Q3742488 | FENQUIZONE [MI] | M.G. 13054 | 6-Quinazolinesulfonamide, 7-chloro-1,2,3,4-tetrahydro-4-oxo-2-phenyl-, (+-)- | CHEBI:135435 | Fenquizone | 6-QUINAZOLINESULFONAMIDE, 7-CHLORO-1,2,3,4-TETRAHYDRO-4-OXO-2-PHENYL-, (+/-)- | D04161 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Fenquizone (MG-13054), a thiazide-like diuretic, exhibits chronic antihypertensive effect. Fenquizone can be used for the research of oedema and hypertension

Specifications

Synonyms

DTXSID10864933 | Q3742488 | FENQUIZONE [MI] | M.G. 13054 | 6-Quinazolinesulfonamide, 7-chloro-1, 2, 3, 4-tetrahydro-4-oxo-2-phenyl-, (+-)- | CHEBI:135435 | Fenquizone | 6-QUINAZOLINESULFONAMIDE, 7-CHLORO-1, 2, 3, 4-TETRAHYDRO-4-OXO-2-PHENYL-, (+/-)- | D04161 |

Specifications & Purity

Moligand™, ≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2NC3=CC(=C(C=C3C(=O)N2)S(=O)(=O)N)Cl
• IUPAC Name: 7-chloro-4-oxo-2-phenyl-2,3-dihydro-1H-quinazoline-6-sulfonamide
• InChIKey: DBDTUXMDTSTPQZ-UHFFFAOYSA-N
• INCHI: 1S/C14H12ClN3O3S/c15-10-7-11-9(6-12(10)22(16,20)21)14(19)18-13(17-11)8-4-2-1-3-5-8/h1-7,13,17H,(H,18,19)(H2,16,20,21)
• Isomeric SMILES: C1=CC=C(C=C1)C2NC3=CC(=C(C=C3C(=O)N2)S(=O)(=O)N)Cl
• Molecular Weight: 337.78
• Reaxy-Rn: 897356
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=897356&ln=

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: Quinazolines
• Alternative Parents: Secondary alkylarylamines Organosulfonamides Benzene and substituted derivatives Aryl chlorides Vinylogous amides Aminosulfonyl compounds Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): >296° C (dec.)
• Molecular Weight: 337.800 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 337.029 Da
• Monoisotopic Mass: 337.029 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 530.000
• 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: 1