SLV 320 - Moligand™, ≥98% , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.251945-92-3, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

CAS: 251945-92-3 Cat. No.: S288502 Molecular Weight: 308.38

GRADE & PURITY Moligand™, ≥98%

Synonyms

SLV320 | SLV-320 | SB52662 | AS-38714 | J-015863 | SCHEMBL2832387 | starbld0043651 | TRANS-4-((2-PHENYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)CYCLOHEXANOL | 4-((2-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexan-1-ol | 4-[(2-phenyl-7H-pyrrolo[2,3-d

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Introduction:

Derenofylline (SLV 320) is a potent, selective and orally active adenosine A1 receptor antagonist, with Ki values of 1 nM, 200 nM and 398 nM for human A1, A3 and A2A receptors respectively. Derenofylline suppresses cardiac fibrosis and attenuates albuminuria without affecting blood pressure in rats.

Specifications

Synonyms

SLV320 | SLV-320 | SB52662 | AS-38714 | J-015863 | SCHEMBL2832387 | starbld0043651 | TRANS-4-((2-PHENYL-7H-PYRROLO(2, 3-D)PYRIMIDIN-4-YL)AMINO)CYCLOHEXANOL | 4-((2-Phenyl-7H-pyrrolo[2, 3-d]pyrimidin-4-yl)amino)cyclohexan-1-ol | 4-[(2-phenyl-7H-pyrrolo[2, 3-d

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Potent and selective adenosine A1receptor antagonist (Kivalues are 1, 200, 398 and 3981 nM at human A1, A3, A2Aand A2Breceptors respectively). Suppresses cardiac fibrosis and attenuates albuminuria, without effect on blood pressure in animal models of chr

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

ANTAGONIST

Mechanism of action

Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196467
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196467
• Canonical Smiles: C1CC(CCC1NC2=NC(=NC3=C2C=CN3)C4=CC=CC=C4)O
• IUPAC Name: 4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
• InChIKey: RBZNJGHIKXAKQE-UHFFFAOYSA-N
• INCHI: 1S/C18H20N4O/c23-14-8-6-13(7-9-14)20-18-15-10-11-19-17(15)21-16(22-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H2,19,20,21,22)
• Isomeric SMILES: C1CC(CCC1NC2=NC(=NC3=C2C=CN3)C4=CC=CC=C4)O
• RTECS: GW0775000
• Molecular Weight: 308.38
• Reaxy-Rn: 25069806
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25069806&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: Secondary alkylarylamines Cyclohexanols Aminopyrimidines and derivatives Imidolactams Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Aminopyrimidine - Cyclohexanol - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Cyclic alcohol - Heteroaromatic compound - Pyrrole - Secondary alcohol - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-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

Associated Targets(Human)

ADORA2A Tclin Adenosine receptor A2a (1 Activities)

Discover Target: ADORA2A

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

ADORA2B Tclin Adenosine receptor A2b (2 Activities)

Discover Target: ADORA2B

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

ADORA1 Tclin Adenosine receptor A1 (2 Activities)

Discover Target: ADORA1

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

ADORA3 Tchem Adenosine receptor A3 (1 Activities)

Discover Target: ADORA3

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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 30.84, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 15.42, Max Conc. mM: 50
• Molecular Weight: 308.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 308.164 Da
• Monoisotopic Mass: 308.164 Da
• Topological Polar Surface Area: 73.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 379.000
• 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