Phosphothiophosphoric acid-adenylate ester , CAS No.117750-47-7

CAS: 117750-47-7 Cat. No.: P668282 Peso molecular: 523.25 PubChem CID: 440317
Disponible para pedir
Synonyms
gamma-Thio-ATP | (gamma-S)ATP | ATP-gammaS | ATP-gamma-S | phosphothiophosphoric acid-adenylate ester | ATPgammaS | Adenosine 5'-(3-thio)triphosphate | alpha-Thio-ATP | Adenosine 5'-O-(3-thiotriphosphate) | Adenosine 5'-thiotriphosphate | adenosine 5'-[ga
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
P668282-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
P668282-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

📚

Literature proof

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

Specifications

Sinónimos
gamma-Thio-ATP | (gamma-S)ATP | ATP-gammaS | ATP-gamma-S | phosphothiophosphoric acid-adenylate ester | ATPgammaS | Adenosine 5'-(3-thio)triphosphate | alpha-Thio-ATP | Adenosine 5'-O-(3-thiotriphosphate) | Adenosine 5'-thiotriphosphate | adenosine 5'-[ga
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP-4
Nombres e identificadores
Sonrisas canónicasC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
IUPAC Name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
INCHI1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
Isómeros SMILES C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
PubChem CID 440317
Peso molecular 523.25

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassNucleosides, nucleotides, and analogues
ClasePurine nucleotides
SubclassPurine ribonucleotides
Intermediate Tree Nodes Not available
Direct ParentPurine ribonucleoside diphosphates
Alternative Parents Purine ribonucleoside monophosphates  Pentose phosphates  Glycosylamines  6-aminopurines  Organic pyrophosphates  Monosaccharide phosphates  Aminopyrimidines and derivatives  Monoalkyl phosphates  Imidolactams  Organic thiophosphoric acids and derivatives  N-substituted imidazoles  Tetrahydrofurans  Heteroaromatic compounds  1,2-diols  Secondary alcohols  Oxacyclic compounds  Azacyclic compounds  Hydrocarbon derivatives  Primary amines  Organopnictogen compounds  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Imidolactam - Phosphoric acid ester - Organic thiophosphoric acid or derivatives - Alkyl phosphate - Pyrimidine - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Primary amine - Alcohol - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
External Descriptors nucleoside triphosphate analogue
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
P2RY11 Tchem P2Y purinoceptor 11 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
P2RY12 Tclin Purinergic receptor P2Y12 (2369 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX5 Tchem P2X purinoceptor 5 (52 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX4 Tchem P2X purinoceptor 4 (516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RX1 Tchem P2X purinoceptor 1 (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY11 Tchem Purinergic receptor P2Y11 (134 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY2 Tclin Purinergic receptor P2Y2 (1109 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
P2rx2 P2X purinoceptor 2 (106 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2rx3 P2X purinoceptor 3 (632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2rx6 P2X purinoceptor 6 (9 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P2RY1 P2Y purinoceptor 1 (470 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular523.250 g/mol
XLogP3-4.000
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass522.973 Da
Monoisotopic Mass522.973 Da
Topological Polar Surface Area294.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity805.000
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
Calculadoras de soluciones
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