ARL 67156 trisodium salt - Moligand™, ≥98% , Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1, CAS No.160928-38-1, Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1

CAS: 160928-38-1 Cat. No.: A335957 Peso molecular: 719.11 PubChem CID: 10078572

GRADE & PURITY Moligand™, ≥98%

Synonyms

ARL 67156 | 6-N,N-DIETHYL-D-BETA-GAMMA-DIBROMOMETHYLENE ATP | FPL 67156 | FPL-67156 | [dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid | DTXSID301017960

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

ARL 67156 trisodium salt is a newly synthesized analog of ATP which functions as a selective CD39 (ecto-ATPase) inhibitor. In addition, studies suggest that ARL 67156 trisodium salt also acts as a weak antagonist for the purinoceptors P2X and P2T and as an agonist for P2u. A common problem observed in the pharamacological classification of receptors is the susceptibility of antagonists and agonists to enzymatic degradation by the assay tissue used, which ARL 67156 trisodium salt may possibly resolve. It has been reported that ARL 67156 trisodium salt also potentiates the effects of UTP, ATP-γ-S, and ATP on purinoceptors via inhibiting dephosphorylation. Furthermore, ARL 67156 trisodium salt can be used as a probe to determine the action of nucleotides and in the classification of purinoceptors. ARL 67156 trisodium salt has a pIC50 = 4.62 and 5.1 in human blood and rat vas deferens, respectively.

Specifications

Sinónimos

ARL 67156 | 6-N, N-DIETHYL-D-BETA-GAMMA-DIBROMOMETHYLENE ATP | FPL 67156 | FPL-67156 | [dibromo-[[[(2R, 3S, 4R, 5R)-5-(6-diethylaminopurin-9-yl)-3, 4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid | DTXSID301017960

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

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™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1

Nota

ARL 67156 trisodium salt is soluble in Water.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)C1=NC=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)O
• IUPAC Name: [dibromo-[[[(2R,3S,4R,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
• InChIKey: ILXFKEOLRYLPJG-IDTAVKCVSA-N
• INCHI: 1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1
• Isómeros SMILES: CCN(CC)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)O
• CAS alternativo: 160928-38-1
• PubChem CID: 10078572
• Términos de entrada MeSH: 6-N,N-diethyl-beta,gamma-dibromomethylene-D-ATP;AR C67156;AR-C67156;ARL 67156;ARL-67156;ARL67156;FPL 67156;FPL-67156
• Peso molecular: 719.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Purine nucleotides
      • Subclass Purine ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Purine nucleotides
• Subclass: Purine ribonucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine ribonucleoside monophosphates
• Alternative Parents: Pentose phosphates 6-alkylaminopurines Glycosylamines Monosaccharide phosphates Bisphosphonates Dialkylarylamines Aminopyrimidines and derivatives Monoalkyl phosphates N-substituted imidazoles Imidolactams Heteroaromatic compounds Oxolanes Organic phosphonic acids Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Organophosphorus compounds Alkyl bromides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-alkylaminopurine - Monosaccharide phosphate - Pentose monosaccharide - 6-aminopurine - Imidazopyrimidine - Bisphosphonate - Purine - Dialkylarylamine - Monoalkyl phosphate - Aminopyrimidine - Imidolactam - Alkyl phosphate - N-substituted imidazole - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Organophosphonic acid derivative - Organophosphonic acid - Oxolane - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Azacycle - Organobromide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organophosphorus compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Amine - Alkyl halide - Alkyl bromide - Organonitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
• 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)

ENTPD1 Tchem Ectonucleoside triphosphate diphosphohydrolase 1 (1 Activities)

Discover Target: ENTPD1

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

ENTPD3 Tchem Ectonucleoside triphosphate diphosphohydrolase 3 (108 Activities)

Discover Target: ENTPD3

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

ENPP1 Tchem Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 (635 Activities)

Discover Target: ENPP1

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

Objetivos asociados (no humanos)

ENTPD1 Ectonucleoside triphosphate diphosphohydrolase 1 (16 Activities)

Discover Target: ENTPD1

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (20 mM).
• Peso molecular: 719.110 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 718.898 Da
• Monoisotopic Mass: 716.9 Da
• Topological Polar Surface Area: 247.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 960.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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