| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
MMP2 0.22 nM (IC50) MMP-12 250 nM (IC50) MMP13 240 nM (IC50)
TP0597850 targets matrix metalloproteinase-2 (MMP-2, gelatinase A), a zinc-dependent endopeptidase that degrades type IV collagen and other extracellular matrix components. MMP-2 is involved in various pathological processes including tumor invasion, metastasis, angiogenesis, and tissue remodeling. By selectively inhibiting MMP-2 with high potency, TP0597850 enables the study of MMP-2 function in disease processes. The compound's long dissociation half-life from MMP-2 contributes to sustained inhibition. |
|---|---|
| ln Vitro |
Compound 18, or TP0597850, demonstrates exceptionally high chemical stability across a wide pH range [1]. TP0597850 has an inhibition constant Ki value of 0.034 nM[1].
In vitro, TP0597850 demonstrates potent inhibition of MMP-2 with an IC50 of 0.22 nM and a Ki of 0.034 nM. The compound exhibits a prolonged dissociation half-life from MMP-2 of 265 minutes, indicating slow dissociation kinetics. TP0597850 shows extremely high chemical stability under a wide range of pH conditions. The compound shows concentration-dependent inhibition of MMP-2 activity in biochemical assays. |
| ln Vivo |
In vivo activity data for TP0597850 are limited, as the compound is primarily studied in vitro. Based on its potent MMP-2 inhibitory mechanism, the compound is expected to inhibit tumor invasion, angiogenesis, and tissue remodeling in animal models. However, detailed efficacy studies in animal models have not been extensively reported. The compound's potential for in vivo applications requires further investigation.
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| Enzyme Assay |
The in vitro enzyme inhibition assay for TP0597850 typically involves measuring MMP-2 activity using a fluorogenic peptide substrate. Purified recombinant human MMP-2 is incubated with varying concentrations of TP0597850 (0.0001-1000 nM) in assay buffer (e.g., Tris-HCl, pH 7.5, containing calcium and zinc ions) at 37°C for 30-60 minutes. The reaction is initiated by adding the substrate, and fluorescence is measured continuously. IC50 and Ki values are calculated from dose-response curves.
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| Cell Assay |
For in vitro cell-based assays, cancer cells or other cell types expressing MMP-2 are cultured and treated with TP0597850 at concentrations ranging from 0.001-100 µM for 24-72 hours. MMP-2 activity is measured in cell lysates or conditioned media using zymography or activity assays. Cell invasion and migration are assessed using Transwell or wound healing assays. Angiogenesis is evaluated using endothelial tube formation assays. Cell viability is assessed using MTT or CCK-8 assays.
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| Animal Protocol |
In vivo animal studies for TP0597850 have not been extensively reported. Based on the compound's mechanism as a potent MMP-2 inhibitor, potential in vivo studies would involve administration to tumor-bearing mouse models via oral gavage, intraperitoneal injection, or intravenous injection at doses ranging from 0.1-50 mg/kg. Tumor growth, invasion, and angiogenesis would be assessed. MMP-2 activity would be measured in tumor tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of TP0597850 have not been fully characterized. The molecular weight is 916.01 g/mol and the molecular formula is C₄₁H₅₇N₉O₁₃S. The compound exhibits high chemical stability under a wide range of pH conditions. Detailed pharmacokinetic parameters such as bioavailability, half-life, and protein binding have not been reported. Stability in solution may be limited.
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| Toxicity/Toxicokinetics |
Toxicology data for TP0597850 are limited. As a research compound, it has not been systematically evaluated for safety. The compound's mechanism of potent MMP-2 inhibition suggests potential effects on tissue remodeling and angiogenesis, which would require careful safety assessment. Standard toxicological endpoints including cell viability, genotoxicity, and organ toxicity should be evaluated. The compound is intended for research use only.
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| References | |
| Additional Infomation |
TP0597850 is a highly potent and selective MMP-2 inhibitor with an IC50 of 0.22 nM and a Ki of 0.034 nM. It demonstrates a prolonged dissociation half-life from MMP-2 of 265 minutes and exhibits high chemical stability across a wide pH range. The compound is a valuable research tool for studying MMP-2 function in cancer, angiogenesis, and tissue remodeling. It is intended for research use only.
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| Molecular Formula |
C41H57N9O13S
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|---|---|
| Molecular Weight |
916.01
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| Exact Mass |
915.379
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| CAS # |
2642181-22-2
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| PubChem CID |
166451148
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| Appearance |
White to off-white solid powder
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| LogP |
-3.6
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| Hydrogen Bond Donor Count |
9
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| Hydrogen Bond Acceptor Count |
15
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| Rotatable Bond Count |
25
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| Heavy Atom Count |
64
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| Complexity |
1790
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C([C@@H]1C[C@@H](CN1C(=O)CC[C@H](C(=O)O)NS(C1C=CC(=CC=1)NC(C1C=CC(=CC=1)C(=O)N)=O)(=O)=O)N)(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CCC(=O)O)C(=O)NCCCCC(=O)N
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| InChi Key |
XGGNDAOPHPLHFW-PVNIVXITSA-N
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| InChi Code |
InChI=1S/C41H57N9O13S/c1-23(2)20-30(40(59)49(3)31(16-18-35(53)54)38(57)45-19-5-4-6-33(43)51)47-39(58)32-21-26(42)22-50(32)34(52)17-15-29(41(60)61)48-64(62,63)28-13-11-27(12-14-28)46-37(56)25-9-7-24(8-10-25)36(44)55/h7-14,23,26,29-32,48H,4-6,15-22,42H2,1-3H3,(H2,43,51)(H2,44,55)(H,45,57)(H,46,56)(H,47,58)(H,53,54)(H,60,61)/t26-,29+,30-,31-,32-/m0/s1
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| Chemical Name |
(2R)-5-[(2S,4S)-4-amino-2-[[(2S)-1-[[(2S)-1-[(5-amino-5-oxopentyl)amino]-4-carboxy-1-oxobutan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-[[4-[(4-carbamoylbenzoyl)amino]phenyl]sulfonylamino]-5-oxopentanoic acid
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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 (109.17 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (2.73 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 (2.73 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (2.73 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.0917 mL | 5.4585 mL | 10.9169 mL | |
| 5 mM | 0.2183 mL | 1.0917 mL | 2.1834 mL | |
| 10 mM | 0.1092 mL | 0.5458 mL | 1.0917 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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