RS-25344 - Moligand™,≥95% , Inhibitor of phosphodiesterase 4A;Inhibitor of phosphodiesterase 4B;Inhibitor of phosphodiesterase 4C;Inhibitor of phosphodiesterase 4D, CAS No.152814-89-6, Inhibitor of phosphodiesterase 4A;Inhibitor of phosphodiesterase 4B;Inhibitor of phosphodiesterase 4C;Inhibitor of phosphodiesterase 4D

CAS: 152814-89-6 Cat. No.: R613300 Molecular Weight: 375.34

GRADE & PURITY Moligand™, ≥95%

Synonyms

SCHEMBL2469373 | Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 1-(3-nitrophenyl)-3-(4-pyridinylmethyl)- | AKOS032945824 | 1-(3-Nitrophenyl)-3-(4-pyridinylmethyl)-pyrido[2,3-d]pyrimidine-2,3-(1H,3H)-dionehydrochloride | RS 25344 | 8-Aza-1-(3-nitrophenyl)-3-(4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

RS-25344 is a selective inhibitor of phosphodiesterase type IV (PDE4). RS-25344 increases intracellular cAMP (cyclic adenosine phosphate) concentration by inhibiting PDE4 activity. RS-25344 can be used in the study of inflammation, immune diseases, neurodegenerative diseases and cardiovascular diseases

Specifications

Synonyms

SCHEMBL2469373 | Pyrido[2, 3-d]pyrimidine-2, 4(1H, 3H)-dione, 1-(3-nitrophenyl)-3-(4-pyridinylmethyl)- | AKOS032945824 | 1-(3-Nitrophenyl)-3-(4-pyridinylmethyl)-pyrido[2, 3-d]pyrimidine-2, 3-(1H, 3H)-dionehydrochloride | RS 25344 | 8-Aza-1-(3-nitrophenyl)-3-(4-

Specifications & Purity

Moligand™, ≥95%

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™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of phosphodiesterase 4A;Inhibitor of phosphodiesterase 4B;Inhibitor of phosphodiesterase 4C;Inhibitor of phosphodiesterase 4D

Purity

≥95%

Names and Identifiers

• Canonical Smiles: O=N(=O)c1cccc(c1)n1c(=O)n(Cc2ccncc2)c(=O)c2c1nccc2
• IUPAC Name: 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[3,2-e]pyrimidine-2,4-dione
• InChIKey: YLHRMVRLIOIWTO-UHFFFAOYSA-N
• INCHI: 1S/C19H13N5O4/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
• Isomeric SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])N2C3=C(C=CC=N3)C(=O)N(C2=O)CC4=CC=NC=C4
• Molecular Weight: 375.34

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 Organic salts Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives 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 - 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

Associated Targets(Human)

PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D (1 Activities)

Discover Target: PDE4D

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE4C Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4C (1 Activities)

Discover Target: PDE4C

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE4A Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4A (3 Activities)

Discover Target: PDE4A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE4B Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4B (1 Activities)

Discover Target: PDE4B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

Discover Target: PDE4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 375.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 375.097 Da
• Monoisotopic Mass: 375.097 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 28
• 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: 1