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G protein-coupled receptors (GPCRs)
P2Y receptors
2',3'-ddATP , CAS No.24027-80-3, Agonist of P2Y 1 receptor

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2',3'-ddATP , CAS No.24027-80-3, Agonist of P2Y 1 receptor

COA

Grade & Purity:

Moligand™

Cas Number: 24027-80-3
Molecular Weight: 541.13
PubChem CID: 65304

In stock

Item Number

D607101

Grouped product items
SKU	Size	Availability	Price	Qty
D607101-25μg	25μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,340.90
D607101-100μg	100μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,340.90

View related series

P2Y1 receptor Agonist (12)

Basic Description

Synonyms	ddATP \| 2',3'-Dideoxyadenosine triphosphate \| 24027-80-3 \| 2',3'-Dideoxy-ATP \| 2',3'-ddATP \| 2',3'-DIDEOXYADENOSINE 5'-TRIPHOSPHATE \| Dda-triphosphate \| dideoxyadenosine 5'-triphosphate \| [[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hyd
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of P2Y 1 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
  - Class Purine nucleotides
    - Subclass Purine deoxyribonucleotides
      - Level5 Purine deoxyribonucleoside triphosphates
        Level6 Purine 2',3'-dideoxyribonucleoside triphosphates

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Purine nucleotides
Subclass	Purine deoxyribonucleotides
Intermediate Tree Nodes	Purine deoxyribonucleoside triphosphates
Direct Parent	Purine 2',3'-dideoxyribonucleoside triphosphates
Alternative Parents	Purine 2',3'-dideoxyribonucleosides 6-aminopurines Monoalkyl phosphates Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine 2',3'-dideoxyribonucleoside triphosphate - Purine 2',3'-dideoxyribonucleoside - Purine nucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Imidazole - Azole - Tetrahydrofuran - Oxacycle - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as purine 2',3'-dideoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3.
External Descriptors	Not available
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

Associated Targets(Human)

P2RY1 Tchem P2Y purinoceptor 1 (1 Activities)

Discover Target: P2RY1

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

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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

Associated Targets(non-human)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
INCHI	InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChIKey	OAKPWEUQDVLTCN-NKWVEPMBSA-N
Smiles	Nc1ncnc2c1ncn2[C@H]1CC[C@H](O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
Isomeric SMILES	C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C(N=CN=C32)N
Molecular Weight	541.13

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	475.180 g/mol
XLogP3	-3.500
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	8
Exact Mass	475.006 Da
Monoisotopic Mass	475.006 Da
Topological Polar Surface Area	239.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	738.000
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

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