PBF-509 - Moligand™ , Adenosine A2a receptor antagonist, CAS No.P612634, Adenosine A2a receptor antagonist

CAS: P612634 Cat. No.: P612634 PubChem CID: 53466958

GRADE & PURITY Moligand™

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

Room temperature

Specifications

동의어

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-

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Adenosine A2a receptor antagonist

이름과 식별자

• 정식 스마일: Nc1nc(nc(c1Br)n1cccn1)n1cccn1
• 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)
• 이성체 SMILES: C1=CN(N=C1)C2=NC(=NC(=C2Br)N)N3C=CC=N3
• PubChem CID: 53466958

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

ADORA2A Tclin Adenosine receptor A2a (8 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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

자주 묻는 질문

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is P612634. InChIKey ATFXVNUWQOXRRU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.