| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
DPP-4 (dipeptidyl aminopeptidase 4)
The target is DPP-4, a serine protease that rapidly degrades glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic polypeptide (GIP). Inhibition of DPP-4 prolongs the half-life of these incretins, enhancing glucose-dependent insulin secretion and suppressing glucagon release. |
|---|---|
| ln Vitro |
It inhibits DPP-4 enzyme activity in vitro; sitagliptin itself has an IC50 of approximately 18 nM, and the phenylalanine derivative retains DPP-4 inhibitory activity, though its precise potency relative to sitagliptin may differ. It is used to assess downstream GLP-1 signaling and insulin secretion.
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| ln Vivo |
No compound-specific in vivo efficacy or pharmacokinetic data are publicly established. DPP-4 inhibitors of this class improve glycemic control in diabetic models; however, animal datasets for this specific derivative are limited, and it remains a research tool.
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| Enzyme Assay |
DPP-4 activity is measured using recombinant DPP-4 and a fluorogenic substrate (e.g., Gly-Pro-AMC); the compound is titrated, and IC50 values are derived from the inhibition of substrate cleavage. Selectivity is confirmed against related dipeptidyl peptidases.
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| Cell Assay |
GLP-1–secreting enteroendocrine cells or DPP-4–expressing cells are treated with the compound; DPP-4 activity in cell lysates or on the cell surface is measured, and GLP-1 degradation is quantified by ELISA or LC-MS. Insulin secretion from pancreatic β-cells is assessed in co-culture systems.
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| Animal Protocol |
No standardized animal protocol is published for this derivative. If evaluated, diabetic rodents would receive the compound orally, and plasma DPP-4 activity, active GLP-1 levels, glucose tolerance, and insulin secretion would be measured, but compound-specific datasets are limited.
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| References |
| Molecular Formula |
C25H24F6N6O2
|
|---|---|
| Molecular Weight |
554.48748588562
|
| Exact Mass |
554.186
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| Elemental Analysis |
C, 54.15; H, 4.36; F, 20.56; N, 15.16; O, 5.77
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| CAS # |
1339955-03-1
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| Related CAS # |
Sitagliptin fenilalanil hydrochloride;1339954-75-4
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| PubChem CID |
164886617
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| Appearance |
White to off-white solid powder
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| LogP |
2
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
8
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| Heavy Atom Count |
39
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| Complexity |
846
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| Defined Atom Stereocenter Count |
2
|
| SMILES |
C(C1=NN=C2CN(C(=O)C[C@H](NC(=O)[C@@H](N)CC3C=CC=CC=3)CC3C=C(F)C(F)=CC=3F)CCN12)(F)(F)F
|
| InChi Key |
FFZDVHCAHYOEPA-UZLBHIALSA-N
|
| InChi Code |
InChI=1S/C25H24F6N6O2/c26-17-12-19(28)18(27)10-15(17)9-16(33-23(39)20(32)8-14-4-2-1-3-5-14)11-22(38)36-6-7-37-21(13-36)34-35-24(37)25(29,30)31/h1-5,10,12,16,20H,6-9,11,13,32H2,(H,33,39)/t16-,20+/m1/s1
|
| Chemical Name |
(2S)-2-amino-N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]-3-phenylpropanamide
|
| Synonyms |
Sitagliptin fenilalanil; 1339955-03-1; Sitagliptin fenilalanil [INN]; LR99Q6X62V; Benzenepropanamide, alpha-amino-N-[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, (alphaS)-; (2S)-2-Amino-N-((2R)-4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)-3-phenylpropanamide; (2S)-2-amino-N-{(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl}-3-phenylpropanamide; (alphaS)-alpha-Amino-N-((1R)-3-(5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)-3-oxo-1-((2,4,5-trifluorophenyl)methyl)propyl)benzenepropanamide;
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~450.86 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.75 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.75 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8035 mL | 9.0173 mL | 18.0346 mL | |
| 5 mM | 0.3607 mL | 1.8035 mL | 3.6069 mL | |
| 10 mM | 0.1803 mL | 0.9017 mL | 1.8035 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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