Tonapofylline
Modify Date: 2025-08-20 14:31:06
Tonapofylline structure
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Common Name | Tonapofylline | ||
|---|---|---|---|---|
| CAS Number | 340021-17-2 | Molecular Weight | 416.51400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C22H32N4O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of TonapofyllineTonapofylline (BG 9928) is an orally active and selective adenosine A1 receptor antagonist with a Ki of 7.4 nM for human adenosine A1 receptor (hA1), which displays 915-fold selectivity versus human adenosine A2A receptor and 12-fold selectivity versus human adenosine A2B receptor and is used in development for the treatment of heart failure[1][2]. |
| Name | Tonapofylline |
|---|---|
| Synonym | More Synonyms |
| Description | Tonapofylline (BG 9928) is an orally active and selective adenosine A1 receptor antagonist with a Ki of 7.4 nM for human adenosine A1 receptor (hA1), which displays 915-fold selectivity versus human adenosine A2A receptor and 12-fold selectivity versus human adenosine A2B receptor and is used in development for the treatment of heart failure[1][2]. |
|---|---|
| Related Catalog | |
| Target |
Ki: 7.4 nM (Human adenosine A1 receptor)[1] |
| References |
| Molecular Formula | C22H32N4O4 |
|---|---|
| Molecular Weight | 416.51400 |
| Exact Mass | 416.24200 |
| PSA | 109.98000 |
| LogP | 3.16310 |
| InChIKey | ZWTVVWUOTJRXKM-UHFFFAOYSA-N |
| SMILES | CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O |
| Storage condition | -20°C |
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Name: Human A1 receptor (Adenosine receptors)
Source: IUPHAR-DB
Target: A1 receptor (Adenosine receptors) [Homo sapiens]
External Id: 18_Human
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Name: Human A2A receptor (Adenosine receptors)
Source: IUPHAR-DB
Target: A2A receptor (Adenosine receptors) [Homo sapiens]
External Id: 19_Human
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Name: Rat A1 receptor (Adenosine receptors)
Source: IUPHAR-DB
Target: A1 receptor (Adenosine receptors) [Rattus norvegicus]
External Id: 18_Rat
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Name: Human A3 receptor (Adenosine receptors)
Source: IUPHAR-DB
Target: A3 receptor (Adenosine receptors) [Homo sapiens]
External Id: 21_Human
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Name: Binding affinity to human adenosine A2A receptor
Source: ChEMBL
Target: Adenosine receptor A2a
External Id: CHEMBL1074277
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Name: Rat A2A receptor (Adenosine receptors)
Source: IUPHAR-DB
Target: A2A receptor (Adenosine receptors) [Rattus norvegicus]
External Id: 19_Rat
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Name: Displacement of [125I]ABA from human adenosine A1 receptor expressed in CHOK1 cells
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL908372
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|
Name: Selectivity for human adenosine A1 receptor over human adenosine A2B receptor
Source: ChEMBL
Target: Adenosine receptors; A1 & A2b
External Id: CHEMBL910009
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|
Name: Displacement of [3H]CPX from rat brain cortex adenosine A1 receptor
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL910010
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|
Name: Selectivity for human adenosine A1 receptor over human adenosine A2A receptor
Source: ChEMBL
Target: Adenosine receptors; A1 & A2a
External Id: CHEMBL910008
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| 3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-proprionic acid |
| 4-(2,3,6,7-TETRAHYDRO-2,6-DIOXO-1,3-DIPROPYL-1H-PURIN-8-YL)-BICYCLO[2.2.2]OCTANE-1-PROPANOIC ACID |
| 3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-propionic acid |