Omarigliptin
Modify Date: 2025-08-22 11:05:58
Omarigliptin structure
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Common Name | Omarigliptin | ||
|---|---|---|---|---|
| CAS Number | 1226781-44-7 | Molecular Weight | 398.427 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 529.4±60.0 °C at 760 mmHg | |
| Molecular Formula | C17H20F2N4O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 274.0±32.9 °C | |
Use of OmarigliptinOmarigliptin(MK-3102) is a potent, selective and long-acting DPP-4 inhibitor with IC50 of 1.6 nM; highly selective over allproteases tested (IC50 > 67 μM).IC50 value: 1.6 nM [1]Target: DPP-4 inhibitorin vitro: Omarigliptin has weak ion channel activity (IC50 > 30 μM at IKr, Cav1.2, and Nav1.5). An expansive selectivity counterscreen (168 radioligand binding or enzymatic assays) was carried out at MDS Pharma. An IC50 > 10 μM was obtained in all assays. in vivo: When orally administered 1 h prior to dextrose challenge in an oral glucose tolerance test (OGTT), it significantly reduced blood glucose excursion in a dose-dependent manner from 0.01 mg/kg (7% reduction in glucose AUC) to 0.3 mg/kg (51% reduction). |
| Name | Omarigliptin |
|---|---|
| Synonym | More Synonyms |
| Description | Omarigliptin(MK-3102) is a potent, selective and long-acting DPP-4 inhibitor with IC50 of 1.6 nM; highly selective over allproteases tested (IC50 > 67 μM).IC50 value: 1.6 nM [1]Target: DPP-4 inhibitorin vitro: Omarigliptin has weak ion channel activity (IC50 > 30 μM at IKr, Cav1.2, and Nav1.5). An expansive selectivity counterscreen (168 radioligand binding or enzymatic assays) was carried out at MDS Pharma. An IC50 > 10 μM was obtained in all assays. in vivo: When orally administered 1 h prior to dextrose challenge in an oral glucose tolerance test (OGTT), it significantly reduced blood glucose excursion in a dose-dependent manner from 0.01 mg/kg (7% reduction in glucose AUC) to 0.3 mg/kg (51% reduction). |
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| Related Catalog | |
| References |
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 529.4±60.0 °C at 760 mmHg |
| Molecular Formula | C17H20F2N4O3S |
| Molecular Weight | 398.427 |
| Flash Point | 274.0±32.9 °C |
| Exact Mass | 398.122406 |
| PSA | 98.83000 |
| LogP | 0.46 |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.689 |
| InChIKey | MKMPWKUAHLTIBJ-ISTRZQFTSA-N |
| SMILES | CS(=O)(=O)n1cc2c(n1)CN(C1COC(c3cc(F)ccc3F)C(N)C1)C2 |
| Storage condition | -20℃ |
![tert-butyl {(2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-yl}carbamate structure](https://image.chemsrc.com/caspic/496/1226781-87-8.png)
![2,4,5,6-Tetrahydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazole benzenesulfonate structure](https://image.chemsrc.com/caspic/213/1280210-80-1.png)
![tert-butyl (3Z)-3-[(dimethylamino)methylene]-4-oxopyrrolidine-1 -carboxylate structure](https://image.chemsrc.com/caspic/461/905274-02-4.png)
![2,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole structure](https://image.chemsrc.com/caspic/382/6573-19-9.png)
![4,6-Dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid tert-butyl ester structure](https://image.chemsrc.com/caspic/123/657428-42-7.png)
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Name: Antidiabetic activity in ob/ob mouse assessed as reduction in decrease in HbA1c level...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL4616462
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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
|
|
Name: Primary qHTS to identify inhibitors of SARS-CoV-2 cell entry
Source: NCGC
External Id: TRND-SARS-CoV-2-PP
|
|
Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Cac...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4303805
|
|
Name: Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrat...
Source: ChEMBL
Target: Dipeptidyl peptidase 4
External Id: CHEMBL3862754
|
|
Name: Inhibition of recombinant human DPP4 expressed in Sf9 cells using Gly-Pro-AMC substra...
Source: ChEMBL
Target: Dipeptidyl peptidase 4
External Id: CHEMBL3737789
|
|
Name: SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL4495582
|
|
Name: Binding affinity to DPP-4 (unknown origin) at 1000 nM relative to control
Source: ChEMBL
Target: Dipeptidyl peptidase 4
External Id: CHEMBL5366997
|
|
Name: Antiviral activity against SARS-CoV-2 (USA-WA1/2020 strain) measured by imaging in HR...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4303810
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Name: Total clearance in beagle dog at 1 mg/kg, iv or 2 mg/kg, po by LC-MS/MS analysis
Source: ChEMBL
Target: Canis lupus familiaris
External Id: CHEMBL3807770
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| UNII-CVP59Q4JE1 |
| (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-tetrahydro-2H-pyran-3-amine |
| MK-3102 |
| Omarigliptin |
| (2R,3S,5R)-2-(2,5-Difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine |
| MK-3102 |