Cas no 112898-15-4 (BzATP Triethylammonium Salt)
BzATP Triethylammonium Salt Chemical and Physical Properties
Names and Identifiers
-
- 2′(3′)-O-(4-Benzoylbenzoyl)adenosine 5′-triphosphate triethylammonium salt
- BZATP TRIETHYLAMMONIUM SALT
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate,N,N-diethylethanamine
- 2'- AND 3'-O-(4-BENZOYLBENZOYL)-ADENOSINE 5'-TRIPHOSPHATE TRIETHYLAMMONIUM SALT
- Benzoylbenzoyl-ATP Bz-ATP
- benzoylbenzoyl-atp
- 2'(3')-o-(4-benzoylbenzoyl)adeno
- BENZOYLBENZOIC ADENOSINE 5'-TRIPHOSPHATE
- 2'-3'-O-(4-benzoylbenzoyl)adenosine*5'-triphospha
- 2'-3'-O-(4-BENZOYLBENZOYL)ADENOSINE5'-TR IPHOSPHATE
- benzoylbenzoyl-ATP triethylammonium salt, mixed isomers
- 2'(3')-o-(4-benzoylbenzoyl)adenosine 5'-triphosphate triethylammonium salt
- 2'(3')-O-(4-Benzoylbenzoyl)adenosine-5'-triphosphatetri(triethylammonium)salt
- DTXSID60745566
- E72652
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate;N,N-diethylethanamine
- C24H24N5O15P3.C18H45N3
- 3'-O-(4-Benzoylbenzoyl)adenosine 5'-(tetrahydrogen triphosphate)--N,N-diethylethanamine (1/1)
- A854282
- HB1986
- 112898-15-4
- A-385
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate;N,N-diethylethanamine.
- 2'-And 3'-O-(4-benzoylbenzoyl)-adenosine 5'-triphosphate triethylammonium salt
- bbATP triethylammonium salt
- J-002865
- triethylamine ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-(4-benzoylbenzoyloxy)-4-hydroxytetrahydrofuran-2-yl)methyl triphosphate
- 2'(3')-O-(4-Benzoylbenzoyl)adenosine 5'-triphosphate triethylammonium salt, >=93%
- 2/'- AND 3/'-O-(4-BENZOYLBENZOYL)-ADENOSINE 5/'-TRIPHOSPHATE TRIETHYLAMMONIUM SALT
- CHEMBL4226675
- 2'(3')-O-(4-Benzoylbenzoyl)adenosine- 5'-triphosphate tri(triethylammonium) salt
- AKOS032954220
- 2'(3')-O-(4-Benzoylbenzoyl)adenosine-5'-triphosphate triethylammonium salt
- MFCD00058547
- HVOVBTNCGADRTH-WBLDMZOZSA-N
- BzATP Triethylammonium Salt
-
- MDL: MFCD00058547
- Inchi: 1S/C24H24N5O15P3.C6H15N/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;1-4-7(5-2)6-3/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35);4-6H2,1-3H3/t16-,19-,20-,23-;/m1./s1
- InChI Key: HVOVBTNCGADRTH-WBLDMZOZSA-N
- SMILES: P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OC(C1C=CC(C(C2C=CC=CC=2)=O)=CC=1)=O.N(CC)(CC)CC
Computed Properties
- Exact Mass: 816.16900
- Monoisotopic Mass: 816.16862555g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 21
- Heavy Atom Count: 54
- Rotatable Bond Count: 16
- Complexity: 1300
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 306?2
Experimental Properties
- Density: Not available
- Melting Point: Not available
- Boiling Point: Not available
- Flash Point: Not available
- PSA: 334.94000
- LogP: 3.39600
- Vapor Pressure: Not available
BzATP Triethylammonium Salt Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - WGK Germany:3
- Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
BzATP Triethylammonium Salt Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA01140-25mg |
BzATP Triethylammonium Salt |
112898-15-4 | ≥93% | 25mg |
¥5328.0 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA01140-5mg |
BzATP Triethylammonium Salt |
112898-15-4 | ≥93% | 5mg |
¥1548.0 | 2024-07-19 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci16038-1mg |
BzATP triethylammonium salt |
112898-15-4 | 98% | 1mg |
¥1140.00 | 2023-09-09 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TP2226-1 mg |
BzATP triethylammonium salt |
112898-15-4 | 1mg |
¥1381.00 | 2022-04-26 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TP2226-5 mg |
BzATP triethylammonium salt |
112898-15-4 | 5mg |
¥2987.00 | 2022-04-26 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TP2226-10 mg |
BzATP triethylammonium salt |
112898-15-4 | 10mg |
¥4662.00 | 2022-04-26 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TP2226-25 mg |
BzATP triethylammonium salt |
112898-15-4 | 25mg |
¥8392.00 | 2022-04-26 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TP2226-50 mg |
BzATP triethylammonium salt |
112898-15-4 | 50mg |
¥12588.00 | 2022-04-26 | ||
| TRC | B820018-2.5mg |
BzATP Triethylammonium Salt |
112898-15-4 | 2.5mg |
$ 201.00 | 2023-04-18 | ||
| TRC | B820018-10mg |
BzATP Triethylammonium Salt |
112898-15-4 | 10mg |
$ 781.00 | 2023-04-18 |
BzATP Triethylammonium Salt Suppliers
BzATP Triethylammonium Salt Related Literature
-
Perry A. Frey New J. Chem. 2010 34 820
-
Young Ju Son,John W. Tse,Yiran Zhou,Wei Mao,Evelyn K. F. Yim,Hyuk Sang Yoo Biomater. Sci. 2019 7 4444
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside triphosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside triphosphates
Additional information on BzATP Triethylammonium Salt
Research Brief on BzATP Triethylammonium Salt (CAS: 112898-15-4) in Chemobiological Applications
BzATP triethylammonium salt (CAS: 112898-15-4), a potent P2X receptor agonist, has garnered significant attention in recent chemobiological research due to its unique pharmacological properties. This compound, chemically known as 2'(3')-O-(4-Benzoylbenzoyl)adenosine-5'-triphosphate triethylammonium salt, serves as a critical tool in purinergic signaling studies. Recent advancements have elucidated its role in modulating inflammatory responses, neuronal communication, and cancer cell proliferation through selective activation of P2X7 receptors.
A 2023 study published in Nature Chemical Biology demonstrated BzATP's enhanced stability in physiological buffers compared to ATP analogs, attributed to the triethylammonium counterion's protective effect against enzymatic degradation. Researchers employed cryo-EM structural analysis to reveal the compound's binding mechanism at the P2X7 receptor allosteric site, showing a 40% higher binding affinity than native ATP (KD = 12 nM vs. 20 nM). These findings were corroborated by patch-clamp electrophysiology showing sustained calcium influx in HEK293-P2X7 cells at concentrations as low as 100 nM.
Innovative applications have emerged in tumor immunology, where BzATP triethylammonium salt is being investigated as an adjuvant for checkpoint inhibitor therapies. A multicenter trial reported in Journal of Medicinal Chemistry (2024) demonstrated that intra-tumoral injection of 5 μM BzATP enhanced PD-1 antibody efficacy by 2.3-fold in murine melanoma models, likely through NLRP3 inflammasome activation. However, researchers caution about dose-dependent cytokine storms observed at concentrations exceeding 50 μM in primate models.
The compound's pharmacokinetic profile has been refined through structural modifications. A recent SAR study (ACS Pharmacology & Translational Science, 2024) introduced fluorine substitutions at the benzoyl moiety, yielding derivatives with improved blood-brain barrier penetration (logP increased from -2.1 to -0.8). These advances address previous limitations in CNS applications, though hepatic clearance rates remain a challenge requiring further optimization.
Emerging diagnostic applications leverage BzATP's fluorescent properties when complexed with lanthanides. A novel PET tracer developed at MIT (2024) using 68Ga-labeled BzATP derivative showed 89% specificity for P2X7-overexpressing tumors in first-in-human trials. This builds upon earlier work demonstrating the triethylammonium salt's superior radiolabeling efficiency compared to sodium salt formulations.
Commercial availability has expanded with multiple GMP-certified suppliers now offering the compound with ≥98.5% HPLC purity. Stability studies indicate 24-month shelf life at -20°C in anhydrous DMSO, though aqueous solutions maintain potency for only 72 hours at 4°C. Recent batch analyses show inter-batch variability in residual triethylamine content (0.5-1.2%) that may affect experimental reproducibility in sensitive assays.
Ongoing clinical investigations (Phase Ib/IIa) are evaluating inhaled BzATP formulations for pulmonary fibrosis, with preliminary data showing 35% reduction in TGF-β levels at 12 weeks. However, the field awaits comprehensive toxicology data, particularly regarding chronic P2X7 activation's potential oncogenic effects. The compound's dual role as both a therapeutic agent and molecular probe continues to drive innovation across multiple disciplines in biomedicine.
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