Trelagliptin
Modify Date: 2026-06-30 15:11:48
Trelagliptin structure
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Common Name | Trelagliptin | ||
|---|---|---|---|---|
| CAS Number | 865759-25-7 | Molecular Weight | 357.382 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 519.0±60.0 °C at 760 mmHg | |
| Molecular Formula | C18H20FN5O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 267.7±32.9 °C | |
Use of TrelagliptinTrelagliptin(SYR-472) is a long acting dipeptidyl peptidase-4 (DPP-4) inhibitor that is being developed for the treatment of type 2 diabetes (T2D). IC50 value:Target: DPP4Two Phase II clinical studies have been completed with Efficacy and Safety of SYR-472 in Subjects With Type 2 Diabetes Mellitus. Phase III clinical studies with trelagliptin in Japan to evaluate its safety and efficacy in a once-weekly oral treatment regimen. Currently, all available DPP-4 inhibitors are dosed once-daily. A once-weekly treatment, such as trelagliptin, would provide patients with a convenient treatment alternative and has the potential to improve treatment compliance. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Trelagliptin(SYR-472) is a long acting dipeptidyl peptidase-4 (DPP-4) inhibitor that is being developed for the treatment of type 2 diabetes (T2D). IC50 value:Target: DPP4Two Phase II clinical studies have been completed with Efficacy and Safety of SYR-472 in Subjects With Type 2 Diabetes Mellitus. Phase III clinical studies with trelagliptin in Japan to evaluate its safety and efficacy in a once-weekly oral treatment regimen. Currently, all available DPP-4 inhibitors are dosed once-daily. A once-weekly treatment, such as trelagliptin, would provide patients with a convenient treatment alternative and has the potential to improve treatment compliance. |
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| Related Catalog | |
| References |
[1]. Efficacy of SYR-472 in Subjects With Type 2 Diabetes Mellitus [2]. Efficacy and Safety of SYR-472 in Subjects With Type 2 Diabetes Mellitus |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 519.0±60.0 °C at 760 mmHg |
| Molecular Formula | C18H20FN5O2 |
| Molecular Weight | 357.382 |
| Flash Point | 267.7±32.9 °C |
| Exact Mass | 357.160095 |
| PSA | 97.05000 |
| LogP | 1.88 |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.646 |
| InChIKey | IWYJYHUNXVAVAA-OAHLLOKOSA-N |
| SMILES | Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2cc(F)ccc2C#N)c1=O |
| Storage condition | -20°C |
| Water Solubility | Practically insoluble (0.034 g/L) (25 ºC) |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity to human DPP-4 expressed in human Caco-2 cells using GP-pNA as subst...
Source: ChEMBL
Target: Dipeptidyl peptidase 4
External Id: CHEMBL5366945
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Name: Binding affinity to human DPP-4 expressed in human Caco-2 cells using GP-pNA as subst...
Source: ChEMBL
Target: Dipeptidyl peptidase 4
External Id: CHEMBL5366943
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Name: Binding affinity to human DPP-4 expressed in human Caco-2 cells using GP-pNA as subst...
Source: ChEMBL
Target: Dipeptidyl peptidase 4
External Id: CHEMBL5366944
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Name: Binding affinity to human DPP-4 expressed in human Caco-2 cells using GP-pNA as subst...
Source: ChEMBL
Target: Dipeptidyl peptidase 4
External Id: CHEMBL5366942
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Name: Metabolic stability in rat liver microsomes assessed as parent compound remaining at ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4140936
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Name: Cytotoxicity counterscreen for inhibitors of SARS-CoV-2 cell entry
Source: NCGC
Target: N/A
External Id: TRND-SARS-CoV-2-cytotox-48hr
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Name: Inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins foll...
Source: ChEMBL
Target: Dipeptidyl peptidase 4
External Id: CHEMBL4140929
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Name: Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry
Source: NCGC
External Id: TRND-SARS-CoV-2-PP
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Name: Inhibition of human ERG up to 30 uM
Source: ChEMBL
Target: Potassium voltage-gated channel subfamily H member 2
External Id: CHEMBL1664415
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Name: Toxicity in rat by GLP toxicology study
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL1664416
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Trelagliptin (USAN) |
| 2-({6-[(3R)-3-Amino-1-piperidinyl]-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl}methyl)-4-fluorobenzonitrile |
| Trelagliptin |
| UNII-Q836OWG55H |
| SYR 472 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: How is the water solubility of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: Water solubility of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile: Practically insoluble (0.034 g/L) (25 ºC). |
| Q: What is the LogP of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: LogP of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile is 1.88. |
| Q: What is the SMILES notation of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: SMILES notation of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile is Cn1c(=O)cc(N2CCCC(N)C2)n(Cc2cc(F)ccc2C#N)c1=O. |
| Q: What is the CAS number of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: CAS number of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile is 865759-25-7. |
| Q: What is the molecular formula of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: Molecular formula of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile is C18H20FN5O2. |
| Q: What is the polar surface area (PSA) of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: Polar surface area (PSA) of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile is 97.05000. |
| Q: What is the boiling point of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: Boiling point of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile is 519.0±60.0 °C at 760 mmHg. |
| Q: What is the English name of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: The English name of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile is 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile. |
| Q: What is the molecular weight of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: Molecular weight of 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile is 357.382. |
| Q: What are the storage conditions for 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile? |
| A: Storage conditions for 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile: -20°C. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |