Taminadenant - Moligand™, ≥97% , CAS No.1337962-47-6

CAS: 1337962-47-6 Cat. No.: T648557 Peso molecular: 306.13 PubChem CID: 53466958

GRADE & PURITY Moligand™, ≥97%

Synonyms

ATFXVNUWQOXRRU-UHFFFAOYSA-N | C10H8BrN7 | C72343 | GTPL10193 | SCHEMBL2546228 | HY-109139 | TAMINADENANT [WHO-DD] | 5-bromo-2,6-di(1H-pyrazol-1-yl)pyrimidin-4-amine | AKOS030527812 | PF-509 | 4-Pyrimidinamine, 5-bromo-2,6-di-1H-pyrazol-1-yl- | 1337962-47-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Taminadenant is an efficient adenosine A2A receptor antagonist. Taminadenant antagonized A2AR agonist-mediated cAMP accumulation and impedance response with KB values of 72.8 nM and 8.2 nM, respectively. Taminadenant can reverse movement disorders in rat models of movement disorders, including stiffness, tremor, and lateral tremor paralysis. When combined with Spartalizumab, Taminadenant can also inhibit tumor growth. Taminadenant can re-activate the anti-tumor immune response. This product is only used for scientific research.

Specifications

Sinónimos

ATFXVNUWQOXRRU-UHFFFAOYSA-N | C10H8BrN7 | C72343 | GTPL10193 | SCHEMBL2546228 | HY-109139 | TAMINADENANT [WHO-DD] | 5-bromo-2, 6-di(1H-pyrazol-1-yl)pyrimidin-4-amine | AKOS030527812 | PF-509 | 4-Pyrimidinamine, 5-bromo-2, 6-di-1H-pyrazol-1-yl- | 1337962-47-

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥97%

Propiedades del producto

• ALogP: 1.2

Nombres e identificadores

• Sonrisas canónicas: C1=CN(N=C1)C2=NC(=NC(=C2Br)N)N3C=CC=N3
• IUPAC Name: 5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
• InChIKey: ATFXVNUWQOXRRU-UHFFFAOYSA-N
• INCHI: 1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
• Isómeros SMILES: C1=CN(N=C1)C2=NC(=NC(=C2Br)N)N3C=CC=N3
• PubChem CID: 53466958
• Peso molecular: 306.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Halopyrimidine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organobromide - Organohalogen compound - Primary amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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

Objetivos asociados (humanos)

ADORA2A Tclin Adenosine receptor A2a (6 Activities)

Discover Target: ADORA2A

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

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

ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

Discover Target: ADORA2B

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

ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

Discover Target: ADORA3

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO
• Sensibilidad: Light sensitive；Heat sensitive
• Peso molecular: 306.120 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 305.002 Da
• Monoisotopic Mass: 305.002 Da
• Topological Polar Surface Area: 87.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 291.000
• 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