The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Home
Applications
Enzymes
Hydrolases
[dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid , CAS No.D607732, Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1
[dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid , CAS No.D607732, Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1
Basic Description
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
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of ectonucleoside triphosphate diphosphohydrolase 1
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
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
[dibromo-[[[(2R,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
INCHI
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
InChIKey
ILXFKEOLRYLPJG-IDTAVKCVSA-N
Smiles
CCN(c1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Br)Br)O)O)CC
Isomeric 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
PubChem CID
10078572
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
