Trequinsin hydrochloride - ≥97%(HPLC) , CAS No.78416-81-6

CAS: 78416-81-6 Cat. No.: T286729 Molecular Weight: 441.95 PubChem CID: 3060974

GRADE & PURITY ≥97%(HPLC)

Synonyms

HY-18740A | NCGC00092376-01 | Trequinsin HCl | Trequinsinhydrochlorid | NCGC00261850-01 | 9,10-Dimethoxy-2-mesitylimino-3-methyl-2,3,6,7-tetrahydro-4H-pyrimido-[6,1a]-isoquinolin-4-one hydrochloride | TCMDC-125545 | 4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

Trequinsin hydrochloride (HL 725) is an extremely potent inhibitor of platelet CAMP phosphodiesterase (PDE), with an IC50 of 0.25 nM. Trequinsin hydrochloride (HL 725) is an extremely potent inhibitor of the aggregation of human platelets induced in vitro by ADP, collagen, thrombin and epinephrine.

Product Application:

Trequinsin has been used as a PDE3 inhibitor in rat juxtaglomerular cells. This study reported that trequinsin can enhance cellular cAMP content, forskolin-induced cAMP synthesis, and renin release in cells.

Specifications

Synonyms

HY-18740A | NCGC00092376-01 | Trequinsin HCl | Trequinsinhydrochlorid | NCGC00261850-01 | 9, 10-Dimethoxy-2-mesitylimino-3-methyl-2, 3, 6, 7-tetrahydro-4H-pyrimido-[6, 1a]-isoquinolin-4-one hydrochloride | TCMDC-125545 | 4H-Pyrimido(6, 1-a)isoquinolin-4-one, 2,

Specifications & Purity

≥97%(HPLC)

Biochemical and Physiological Mechanisms

Highly potent inhibitor of cGMP-inhibited phosphodiesterase (PDE3; IC50= 250 pM). Potently inhibits arachidonic acid-induced aggregation of human platelets (IC50= 50 pM). Orally active antihypertensive agent; reduces systemic blood pressure in both normot

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.

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C.Cl
• IUPAC Name: 9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride
• InChIKey: DTCZZBVPTHVXFA-UHFFFAOYSA-N
• INCHI: 1S/C24H27N3O3.ClH/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4;/h9-13H,7-8H2,1-6H3;1H
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C.Cl
• WGK Germany: 3
• RTECS: UW7727000
• PubChem CID: 3060974
• Molecular Weight: 441.95

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Anisoles Pyrimidones Alkyl aryl ethers Pyridines and derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrimidine - Anisole - Phenol ether - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Urea - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 44.2, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 44.2, Max Conc. mM: 100
• Sensitivity: Moisture sensitive.
• Molecular Weight: 441.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 441.182 Da
• Monoisotopic Mass: 441.182 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 708.000
• 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: 2

XLogP3