SCH 58261 - Moligand™, 10mM in DMSO , Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor, CAS No.160098-96-4, Antagonist of A 1 receptor;Antagonist of A 2A receptor;Antagonist of A 2B receptor;Antagonist of A 3 receptor

CAS: 160098-96-4 Cat. No.: S421921 Formule: C₁₈H₁₅N₇O Poids moléculaire: 345.36 Numéro CE: 836-097-9 PubChem CID: 176408

QUALITÉ & PURETÉ Moligand™, 10mM in DMSO

Synonyms

BS162679 | J-009674 | LP01259 | Sch58261 | Sch-58261 | 4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine | BDBM50048466 | AMY31049 | NCGC00261944-01 | 7H-Pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Product Describtion:

SCH 58261 is a potent, selective and competitive antagonist of adenosine A2A receptor with an IC50 of 15 nM, and displays 323-, 53- and 100-fold more selective for A2A receptor than A1, A2B, and A3 receptors, respectively

Spécifications

Synonymes

BS162679 | J-009674 | LP01259 | Sch58261 | Sch-58261 | 4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine | BDBM50048466 | AMY31049 | NCGC00261944-01 | 7H-Pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c

Spécifications et pureté

Moligand™, 10mM in DMSO

Mécanismes biochimiques et physiologiques

Potent, highly selective A 2A receptor antagonist. (K i values are 1-2, 289 and >10000 nM at A 2A , A 1 and A 3 receptors, respectively). Displays therapeutic effects in animal Parkinson's models and elicits locomotor sensitizat

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

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

Noms et identifiants

Pubchem Sid

528767069

Sourires canoniques

C1=CC=C(C=C1)CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5

IUPAC Name

4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

InChIKey

UTLPKQYUXOEJIL-UHFFFAOYSA-N

INCHI

1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)

Isomères SMILES

C1=CC=C(C=C1)CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5

WGK Allemagne

3

CAS alternatif

160098-96-4

PubChem CID

176408

Termes d'entrée MeSH

5-amino-7-(2-phenylethyl)-2-(2-furyl)pyrazolo(4,3-e)-1,2,4-triazolo(1,5-c)pyrimidine;APE-FPTP;SCH 58261;SCH-58261;SCH58261

Poids moléculaire

345.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyrimidines
• Alternative Parents: Pyrazolo[3,4-d]pyrimidines Aminopyrimidines and derivatives Benzene and substituted derivatives Triazoles Pyrazoles Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Triazolopyrimidine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Furan - Pyrazole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Oxacycle - Azacycle - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. 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

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ADORA2A Tclin Adenosine receptor A2a (25 Activities)

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

ADORA3 Tchem Adenosine receptor A3 (1 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

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ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HEK293 (82097 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture Sensitive,Heat Sensitive
• Point de fusion (°C): 223 °C
• Poids moléculaire: 345.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 345.134 Da
• Monoisotopic Mass: 345.134 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 488.000
• 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