oxidised ATP - Moligand™ , Antagonist of P2X7, CAS No.54970-91-1, Antagonist of P2X7

CAS: 54970-91-1 Cat. No.: O612578 PubChem CID: 5486828

GRADE & PURITY Moligand™

Synonyms

oATP | Oxo-ATP | Oxidised ATP | Dial-ATP | Triphosphoric acid, P-(2-(1-(6-amino-9H-purin-9-yl)-2-oxoethoxy-3-oxopropyl)) ester | Adenosine 5'-triphosphate 2',3',-dialdehyde | [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-hydroxy-phosph

Storage

Room temperature

Specifications

Sinonimi

oATP | Oxo-ATP | Oxidised ATP | Dial-ATP | Triphosphoric acid, P-(2-(1-(6-amino-9H-purin-9-yl)-2-oxoethoxy-3-oxopropyl)) ester | Adenosine 5'-triphosphate 2',3',-dialdehyde | [[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-oxo-propoxy]-hydroxy-phosph

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of P2X7

Nomi e identificatori

Sorrisi canonici

O=C[C@H](O[C@@H](n1cnc2c1ncnc2N)C=O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O

IUPAC Name

[[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate

InChIKey

ZOSTZYMLOPBGQI-NKWVEPMBSA-N

INCHI

1S/C10H14N5O13P3/c11-9-8-10(13-4-12-9)15(5-14-8)7(2-17)26-6(1-16)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1-2,4-7H,3H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t6-,7+/m0/s1

Isomeri SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@@H](C=O)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=O)N

PubChem CID

5486828

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Glyceraldehyde-3-phosphates Monoalkyl phosphates Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Glyceraldehyde-3-phosphate - Aminopyrimidine - Monoalkyl phosphate - Imidolactam - Alkyl phosphate - Pyrimidine - Phosphoric acid ester - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Aldehyde - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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

Obiettivi associati (umani)

P2RX7 Tchem P2X purinoceptor 7 (0 Activities)

Discover Target: P2RX7

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 505.170 g/mol
• XLogP3: -5.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 12
• Exact Mass: 504.98 Da
• Monoisotopic Mass: 504.98 Da
• Topological Polar Surface Area: 273.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 796.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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.

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

The CAS Number is 54970-91-1. InChIKey ZOSTZYMLOPBGQI-NKWVEPMBSA-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.