| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Targets |
SCH79797 diHCl primarily targets protease-activated receptor 1 (PAR1), a G protein-coupled receptor activated by thrombin. It acts as a potent and specific non-peptidyl antagonist with an IC50 of 70 nM and a Ki of 35 nM for inhibiting the binding of high-affinity thrombin receptor-activating peptide to PAR1. The compound inhibits thrombin-induced platelet aggregation. SCH79797 diHCl also shows antimicrobial and anticancer activities.
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| ln Vitro |
Thrombin receptor activating peptide ([3H]haTRAP) binding with high affinity is competitively inhibited by SCH79797. ADP, collagen, gamma-thrombin, protease-activated receptor 4 (PAR-4), and alpha-thrombin all cause human platelet aggregation, which is inhibited by SCH79797. Cytosolic free Ca2+ concentration ([Ca2+]i) in hCASMCs is temporarily elevated by thrombin. The accumulation of [Ca2+]i is efficiently inhibited by SCH79797. [3H]Thymidine incorporation increased by TK and thrombin is totally inhibited by SCH79797 [1]. A concentration-dependent effect of SCH79797 is observed on the proliferation of several human and animal cell lines. With regard to NIH 3T3, HEK 293 and A375 cells, the corresponding ED50 values were 75 nM, 81 nM and 116 nM. SCH79797 elicits apoptosis in NIH 3T3 cells at higher doses while at lower concentrations inhibiting serum-stimulated p44/p42 mitogen-activated protein kinase (MAPK) activation [2].
In vitro, SCH79797 diHCl functions as a potent PAR1 antagonist. It inhibits binding of high-affinity thrombin receptor-activating peptide to PAR1 with an IC50 of 70 nM and Ki of 35 nM. The compound inhibits thrombin-induced platelet aggregation (IC50 = 3 μM). In NIH 3T3 cells, the compound inhibits serum-induced p44/p42 MAPK activation at low concentrations and induces apoptosis at high concentrations. It also exhibits antimicrobial and anticancer effects. |
| ln Vivo |
In two models of myocardial ischemia/reperfusion (I/R) injury, SCH79797 (2.5-250 μg/kg; i.v.; male Sprague Dawley rats) given immediately before or during ischemia reduced intact rats Myocardial necrosis after cardiac I/R. The response is dosage-dependent, with the optimal dose being 25 μg/kg[4].
In vivo, SCH79797 diHCl has been studied for its antithrombotic and cardioprotective effects. It limits myocardial ischemia/reperfusion injury. The compound effectively blocks PAR1 activation in vascular smooth muscle cells, endothelial cells, and astrocytes. It has been investigated for its antimicrobial and anticancer effects. In vivo efficacy is evaluated in models of thrombosis, ischemia-reperfusion injury, and cancer. |
| Enzyme Assay |
The cell-free assay for SCH79797 diHCl involves evaluating its ability to inhibit the binding of high-affinity thrombin receptor-activating peptide to PAR1. Radioligand binding assays are performed using membrane preparations from cells expressing PAR1. SCH79797 diHCl is incubated with membranes and a radiolabeled PAR1 ligand. Competition binding experiments determine IC50 and Ki values. Selectivity is assessed by testing against other receptors.
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| Cell Assay |
For in vitro cellular assays, SCH79797 diHCl is typically dissolved in DMSO and diluted in cell culture medium. Platelets or cells expressing PAR1 are treated with various concentrations of the compound. Platelet aggregation is measured using aggregometry. MAPK activation is assessed by western blotting. Apoptosis is evaluated using flow cytometry. Antimicrobial activity is assessed using broth microdilution methods.
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| Animal Protocol |
Animal/Disease Models: Male Sprague Dawley rats (8 weeks old) with myocardial I/R injury [4]
Doses: 2.5 μg/kg, 10 μg/kg, 25 μg/kg, 50 μg/kg, 100 μg/kg and 250 μg/kg Route of Administration: IV Experimental Results: Myocardial necrosis after I/R was diminished in intact rat hearts before or during ischemia. In vivo animal studies for SCH79797 diHCl are conducted in models of thrombosis, ischemia-reperfusion injury, and cancer. The compound is administered via various routes including intravenous or intraperitoneal injection. Infarct size is measured in ischemia-reperfusion models. Tumor growth is monitored in cancer models. Platelet aggregation and thrombus formation are assessed. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of SCH79797 diHCl include a molecular weight of 444.40 g/mol and molecular formula C23H27Cl2N5. As a small molecule antagonist, it is expected to have moderate oral bioavailability and tissue penetration. Detailed ADME parameters such as half-life, Cmax, and AUC are available from published studies. The compound is stored at appropriate conditions as a research reagent.
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| Toxicity/Toxicokinetics |
The toxicity profile of SCH79797 diHCl has been characterized in preclinical studies. As a PAR1 antagonist, potential toxicities may include effects on hemostasis and wound healing. Standard toxicology studies include acute and sub-chronic toxicity assessments. The compound is intended for research use only and not for therapeutic applications in humans. Standard safety precautions should be followed when handling this compound.
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| References |
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| Additional Infomation |
SCH79797 diHCl is a potent and specific non-peptidyl PAR1 antagonist (IC50 = 70 nM, Ki = 35 nM). It inhibits thrombin-induced platelet aggregation (IC50 = 3 μM). The compound exhibits antimicrobial and anticancer effects and limits myocardial ischemia/reperfusion injury. SCH79797 diHCl is a research tool for studying PAR1 function in thrombosis, inflammation, and cancer.
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| Molecular Formula |
C₂₃H₂₇CL₂N₅
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| Molecular Weight |
444.40
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| Exact Mass |
443.164
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| CAS # |
1216720-69-2
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| Related CAS # |
SCH79797;245520-69-8
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| PubChem CID |
45073452
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| Appearance |
White to yellow solid powder
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| LogP |
7.17
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
30
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| Complexity |
527
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N
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| InChi Key |
AVXQPEKZIGPIJW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25N5/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27)
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| Chemical Name |
3-N-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
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| Synonyms |
SCH79797 diHCl; SCH-79797 diHCl
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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 : ~22 mg/mL (~49.50 mM)
Ethanol : ~11 mg/mL (~24.75 mM) |
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2502 mL | 11.2511 mL | 22.5023 mL | |
| 5 mM | 0.4500 mL | 2.2502 mL | 4.5005 mL | |
| 10 mM | 0.2250 mL | 1.1251 mL | 2.2502 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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