| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
HD-Phe-Pip-Arg-pNA acetate targets thrombin (factor IIa), a serine protease that plays a central role in the coagulation cascade. The substrate mimics the N-terminal sequence of the fibrinogen α-chain, the natural substrate for thrombin.
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|---|---|
| ln Vitro |
The in vitro activity of this compound is its function as a chromogenic substrate for thrombin. Thrombin cleaves the substrate at the Arg-pNA bond, releasing the chromophore p-nitroaniline (pNA), which can be quantified spectrophotometrically at 405 nm. The AT-III assay using this substrate is sensitive, accurate, and easy to perform. The substrate enables precise measurement of antithrombin-heparin cofactor activity.
|
| ln Vivo |
HD-Phe-Pip-Arg-pNA acetate is not used as a therapeutic agent. Its in vivo utility is limited to diagnostic and research applications involving the measurement of thrombin activity and antithrombin-heparin cofactor (AT-III) in plasma samples.
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| Enzyme Assay |
In vitro enzyme assays for this compound involve incubating the chromogenic substrate with thrombin or plasma samples in appropriate buffer conditions. Thrombin cleaves the substrate, releasing p-nitroaniline (pNA), which is measured spectrophotometrically at 405 nm. The rate of pNA release is proportional to thrombin activity. Inhibitors can be evaluated by measuring the reduction in substrate cleavage.
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| Cell Assay |
For in vitro cellular experiments, this compound is typically used in cell-free systems for thrombin activity assays. The substrate can be added to plasma samples or purified thrombin preparations to assess enzyme activity. The chromogenic readout provides a simple and quantitative measure of thrombin activity.
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| Animal Protocol |
In vivo animal experiments with this compound are not typically performed, as the compound is used as an in vitro diagnostic substrate. However, the substrate can be used to measure thrombin activity in plasma samples collected from animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of this compound have not been characterized, as it is a research-use chromogenic substrate rather than a drug candidate. The compound has a molecular weight of 672.74 g/mol and is soluble in water and DMSO at 90 mg/mL. It should be stored as powder at -20°C for up to 3 years or in solution at -20°C for up to 6 months.
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| Toxicity/Toxicokinetics |
Toxicological data for this compound has not been systematically evaluated, as it is intended for research applications only and not for therapeutic use. Standard laboratory safety precautions should be observed when handling this chemical reagent.
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| References |
[1]. Goodnight SH Jr, et al. Measurement of antithrombin III in normal and pathologic states using chromogenic substrate S-2238. Comparison with immunoelectrophoretic and factor Xa inhibition assays. Am J Clin Pathol. 1980;73(5):639-647.
[2]. Voorthuizen H, Kluft C. Improved assay conditions for automated antithrombin III determinations with the chromogenic substrate S-2238. Thromb Haemost. 1984;52(3):350-353. |
| Additional Infomation |
HD-Phe-Pip-Arg-pNA acetate (S-2238 acetate) is a chromogenic substrate for thrombin that is used to measure antithrombin-heparin cofactor (AT-III) activity. The AT-III assay is sensitive, accurate, and easy to perform. The compound has no clinical or therapeutic applications.
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| Molecular Formula |
C29H40N8O7
|
|---|---|
| Molecular Weight |
612.68
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| Exact Mass |
552.281
|
| CAS # |
115388-96-0
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| Related CAS # |
H-D-Phe-Pip-Arg-pNA hydrochloride;160192-34-7;H-D-Phe-Pip-Arg-pNA;64815-81-2;H-D-Phe-Pip-Arg-pNA dihydrochloride;62354-65-8
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| PubChem CID |
13020984
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| Appearance |
White to yellow solid powder
|
| LogP |
4.048
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| Hydrogen Bond Donor Count |
5
|
| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
40
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| Complexity |
892
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
NC(=N)NCCC[C@@H](C(=O)NC1=CC=C(N(=O)[O-])C=C1)NC(=O)C2N(CCCC2)C(=O)[C@H](N)CC3=CC=CC=C3
|
| InChi Key |
YDMBNDUHUNWWRP-AXWGZAFASA-N
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| InChi Code |
InChI=1S/C27H36N8O5/c28-21(17-18-7-2-1-3-8-18)26(38)34-16-5-4-10-23(34)25(37)33-22(9-6-15-31-27(29)30)24(36)32-19-11-13-20(14-12-19)35(39)40/h1-3,7-8,11-14,21-23H,4-6,9-10,15-17,28H2,(H,32,36)(H,33,37)(H4,29,30,31)/t21-,22+,23?/m1/s1
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| Chemical Name |
1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]piperidine-2-carboxamide
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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: 100 mg/mL (163.22 mM)
H2O: < 0.1 mg/mL |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.08 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.08 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 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6322 mL | 8.1609 mL | 16.3217 mL | |
| 5 mM | 0.3264 mL | 1.6322 mL | 3.2643 mL | |
| 10 mM | 0.1632 mL | 0.8161 mL | 1.6322 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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