RS-25344 hydrochloride - ≥99% , CAS No.152815-28-6

CAS: 152815-28-6 Cat. No.: R649372 Molecular Weight: 411.8 PubChem CID: 19781728

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

RS-25344 hydrochloride is a selective cAMP-phosphodiesterase 4 (PDE 4; PDE IV) inhibitor with an IC 50 of 0.28 nM in human lymphocytes. RS-25344 hydrochloride has only weak inhibitory effects on PDE I, II, III (IC 50 of >100 μM, 160 μM, 330 μM, respectively). RS-25344 hydrochloride has anti-inflammatory, memory- and cognition enhancing, and antineoplastic effects

In Vitro

RS-25344 hydrochloride (0-10 μM) is a potent inhibitor of sperm PDE activity, with an effective concentration of 0.3 nM and reaching maximum inhibition in the range of 100 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

RS-25344 hydrochloride (5 mg/kg; i.p.; twice daily for 72 h) results in significant increases in stomach weights in wild type C57BL/6 mice. RS-25344 hydrochloride (1 mg/kg; i.p.; 30 min prior to food bolus) increases gastric retention in mice. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:PDE Ⅳ 0.28 nM (IC 50 ) PDE Ⅰ >100 μM (IC 50 ) PDE Ⅱ 160 μM (IC 50 ) PDE Ⅲ 330 μM (IC 50 )

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

RS-25344 hydrochloride is a selective cAMP-phosphodiesterase 4 (PDE 4; PDE IV) inhibitor with an IC 50 of 0.28 nM in human lymphocytes. RS-25344 hydrochloride has only weak inhibitory effects on PDE I, II, III (IC 50 of >100 μM, 160 μM, 330 μM, respective

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC(=C1)[N+](=O)[O-])N2C3=C(C=CC=N3)C(=O)N(C2=O)CC4=CC=NC=C4.Cl
• IUPAC Name: 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
• InChIKey: ROSFKXDQMBPYQQ-UHFFFAOYSA-N
• INCHI: 1S/C19H13N5O4.ClH/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13;/h1-11H,12H2;1H
• Isomeric SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])N2C3=C(C=CC=N3)C(=O)N(C2=O)CC4=CC=NC=C4.Cl
• PubChem CID: 19781728
• Molecular Weight: 411.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines
      • Subclass Pyrido[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridopyrimidines
• Subclass: Pyrido[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrido[2,3-d]pyrimidines
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Pyrimidones Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organooxygen compounds Hydrochlorides Hydrocarbon derivatives Organic oxides Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrido[2,3-d]pyrimidine - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - C-nitro compound - Organic nitro compound - Urea - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrochloride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
• 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: DMSO : 83.33 mg/mL (202.36 mM; Need ultrasonic)
• Molecular Weight: 411.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 411.073 Da
• Monoisotopic Mass: 411.073 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 618.000
• 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

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