Arborine - ≥99% , CAS No.6873-15-0

CAS: 6873-15-0 Cat. No.: A651253 Molecular Weight: 250.29 PubChem CID: 63123

GRADE & PURITY ≥99%

Synonyms

2-Benzyl-1-methyl-4(1H)-Quinazolinone | Q27105821 | 2-benzyl-1-methylquinazol-4-one | 1-Methyl-2-(phenylmethyl)-4(1H)-quinazolinone | NSC 127745 | 4(1H)-Quinazolinone, 1-methyl-2-(phenylmethyl)- | AKOS024258266 | Arborin | 1-Methyl-2-(phenylmethyl)quinazo

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure.

Form:Solid

Specifications

Synonyms

2-Benzyl-1-methyl-4(1H)-Quinazolinone | Q27105821 | 2-benzyl-1-methylquinazol-4-one | 1-Methyl-2-(phenylmethyl)-4(1H)-quinazolinone | NSC 127745 | 4(1H)-Quinazolinone, 1-methyl-2-(phenylmethyl)- | AKOS024258266 | Arborin | 1-Methyl-2-(phenylmethyl)quinazo

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Arborine inhibits the peripheral action of acetylcholine and induces a fall in blood pressure .

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3
• IUPAC Name: 2-benzyl-1-methylquinazolin-4-one
• InChIKey: XVPZRKIQCKKYNE-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
• Isomeric SMILES: CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3
• Alternate CAS: 6873-15-0
• PubChem CID: 63123
• NSC Number: 127745
• MeSH Entry Terms: arborine;glycosine
• Molecular Weight: 250.29

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: Pyrimidones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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: Quinazoline alkaloids

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

• Solubility: DMSO : 16.67 mg/mL (66.60 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 250.290 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 250.111 Da
• Monoisotopic Mass: 250.111 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 371.000
• 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