BzATP - Moligand™ , Agonist of P2X1;Agonist of P2X3;Agonist of P2X4;Agonist of P2X7;Agonist of P2Y 11 receptor, CAS No.81790-82-1, Agonist of P2X1;Agonist of P2X3;Agonist of P2X4;Agonist of P2X7;Agonist of P2Y 11 receptor

CAS: 81790-82-1 Cat. No.: B608269 PubChem CID: 115205
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
BzATP|81790-82-1|3'-O-(4-Benzoyl)benzoyl ATP|3'-O-(4-Benzoyl)benzoyladenosine 5'-triphosphate|3'-O-(4-Benzoylbenzoyl)ATP|Adenosine 5'-(tetrahydrogen triphosphate), 3'-(4-benzoylbenzoate)|4P5DXU1F8Q|CHEBI:34316|phenol, 4,4'-thiobis[3-dodecyl-|[(2R,3S,4R,5R
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
B608269-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
B608269-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,714.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
BzATP | 81790-82-1 | 3'-O-(4-Benzoyl)benzoyl ATP | 3'-O-(4-Benzoyl)benzoyladenosine 5'-triphosphate | 3'-O-(4-Benzoylbenzoyl)ATP | Adenosine 5'-(tetrahydrogen triphosphate), 3'-(4-benzoylbenzoate) | 4P5DXU1F8Q | CHEBI:34316 | phenol, 4, 4'-thiobis[3-dodecyl- | [(2R, 3S, 4R, 5R
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of P2X1;Agonist of P2X3;Agonist of P2X4;Agonist of P2X7;Agonist of P2Y 11 receptor
Names and Identifiers
Canonical SmilesO[C@@H]1[C@H](OC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
IUPAC Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-(benzoyl)benzoate
InChIKeyAWJJLYZBWRIBCZ-UGTJMOTHSA-N
INCHI1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1
Isomeric SMILES C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
PubChem CID 115205

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
SubclassPurine ribonucleotides
Intermediate Tree Nodes Not available
Direct ParentPurine ribonucleoside triphosphates
Alternative Parents Purine ribonucleoside monophosphates  Pentose phosphates  Benzophenones  Aryl-phenylketones  Diphenylmethanes  Glycosylamines  6-aminopurines  Benzoic acid esters  Monosaccharide phosphates  Benzoyl derivatives  Aminopyrimidines and derivatives  Monoalkyl phosphates  N-substituted imidazoles  Imidolactams  Heteroaromatic compounds  Tetrahydrofurans  Carboxylic acid esters  Secondary alcohols  Amino acids and derivatives  Monocarboxylic acids and derivatives  Oxacyclic compounds  Azacyclic compounds  Organic oxides  Organopnictogen compounds  Primary amines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Purine ribonucleoside triphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Benzophenone - Aryl-phenylketone - Diphenylmethane - N-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Benzoate ester - 6-aminopurine - Pentose monosaccharide - Benzoic acid or derivatives - Imidazopyrimidine - Purine - Benzoyl - Aryl ketone - Monoalkyl phosphate - Aminopyrimidine - Benzenoid - Alkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Monocyclic benzene moiety - Phosphoric acid ester - Imidolactam - Monosaccharide - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Imidazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Primary amine - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.
External Descriptors purine ribonucleoside triphosphate
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
P2RX3 Tclin P2X purinoceptor 3 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
P2RX4 Tchem P2X purinoceptor 4 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
P2RX7 Tchem P2X purinoceptor 7 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
P2RY11 Tchem P2Y purinoceptor 11 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
P2RX1 Tchem P2X purinoceptor 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
P2RX7 Tchem P2X purinoceptor 7 (5534 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight715.400 g/mol
XLogP3-2.100
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count19
Rotatable Bond Count13
Exact Mass715.048 Da
Monoisotopic Mass715.048 Da
Topological Polar Surface Area302.000 Ų
Heavy Atom Count47
Formal Charge0
Complexity1280.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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