| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
1. Carboxypeptidase G2 (CPG2, a folate-degrading metalloenzyme, Ki = 0.8 nM for the lead Carboxypeptidase G2 (CPG2) Inhibitor; IC50 = 2.1 nM for recombinant CPG2 enzyme activity inhibition) [1]
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| ln Vitro |
1. CPG2 enzyme inhibitory activity: Carboxypeptidase G2 (CPG2) Inhibitor (lead compound in the study) exhibited potent, competitive inhibition of recombinant bacterial CPG2 enzyme; it had a Ki value of 0.8 nM and an IC50 of 2.1 nM for the hydrolysis of the substrate methotrexate (MTX) by CPG2. The inhibitor showed high selectivity for CPG2, with no significant inhibition of other carboxypeptidases (e.g., carboxypeptidase A, carboxypeptidase B) at concentrations up to 1 μM (residual enzyme activity > 90% for these off-target enzymes) [1]
2. Folate protection effect: In in vitro folate degradation assays, Carboxypeptidase G2 (CPG2) Inhibitor (10 nM) prevented CPG2-mediated cleavage of folic acid and its analogs; at this concentration, the residual folate level in the reaction system was increased by 89% compared with the CPG2-alone control group, confirming its ability to block CPG2-dependent folate catabolism [1] |
| Enzyme Assay |
1. Recombinant CPG2 enzyme activity inhibition assay: The assay was established in a buffer system containing purified recombinant CPG2 enzyme, folate-based substrate (methotrexate), and serial dilutions of Carboxypeptidase G2 (CPG2) Inhibitor (0.1 nM–10 μM). The reaction was initiated by adding the enzyme and incubated at 37℃ for 20 min, then terminated by adding a stop solution that quenched the enzymatic reaction. The remaining intact substrate was quantified using a UV-visible spectrophotometer at a wavelength of 302 nm (specific for methotrexate). Enzyme activity was calculated based on the substrate consumption rate, and the Ki and IC50 values were derived by fitting the dose-response curves with a competitive inhibition model [1]
2. Carboxypeptidase selectivity assay: A panel of purified carboxypeptidases (CPG2, carboxypeptidase A, carboxypeptidase B) was incubated with Carboxypeptidase G2 (CPG2) Inhibitor (concentrations up to 1 μM) and their respective specific substrates in buffer systems optimized for each enzyme. The enzymatic reaction was carried out at 37℃ for 30 min, and substrate hydrolysis was detected using substrate-specific spectrophotometric or fluorometric methods. Residual enzyme activity was calculated relative to the vehicle control to evaluate the inhibitor’s target selectivity [1] |
| References |
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| Additional Infomation |
1. Carboxypeptidase G2 (CPG2) inhibitors are novel small molecule metalloenzyme inhibitors designed to target bacteria and recombinant CPG2. Their core structure includes a zinc-binding moiety that chelates metal ions at the active site of CPG2, and a hydrophobic scaffold occupying the enzyme substrate binding pocket [1]. 2. The inhibitory mechanism of carboxypeptidase G2 (CPG2) inhibitors is competitive binding to the active site of CPG2: their zinc-binding group coordinates with the Zn²⁺ ion at the catalytic center of CPG2, while the adjacent hydrophobic region blocks folic acid substrates (e.g., methotrexate) from entering the active site, thereby inhibiting CPG2-mediated folic acid degradation [1]. 3. The development of this inhibitor of carboxypeptidase G2 (CPG2) is intended for use in antibody-guided enzyme prodrug therapy (ADEPT): it can be used to modulate CPG2 activity in the ADEPT system, prevent off-target folic acid degradation, reduce the systemic toxicity of CPG2-based prodrug therapy, and maintain local activation of the prodrug at the tumor site [1].
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| Molecular Formula |
C13H15NO6S
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|---|---|
| Molecular Weight |
313.3263
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| Exact Mass |
313.062
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| CAS # |
192203-60-4
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| PubChem CID |
9796834
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| Appearance |
White to off-white solid powder
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| Density |
1.43
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| LogP |
2.019
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
21
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| Complexity |
381
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| Defined Atom Stereocenter Count |
1
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| SMILES |
COC1=CC=C(C=C1)SC(=O)N[C@@H](CCC(=O)O)C(=O)O
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| InChi Key |
OBCGYIKABKFIQB-JTQLQIEISA-N
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| InChi Code |
InChI=1S/C13H15NO6S/c1-20-8-2-4-9(5-3-8)21-13(19)14-10(12(17)18)6-7-11(15)16/h2-5,10H,6-7H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1
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| Chemical Name |
(2S)-2-[(4-methoxyphenyl)sulfanylcarbonylamino]pentanedioic 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 |
| 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) |
H2O : ~1.43 mg/mL (~4.56 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 | 3.1915 mL | 15.9576 mL | 31.9152 mL | |
| 5 mM | 0.6383 mL | 3.1915 mL | 6.3830 mL | |
| 10 mM | 0.3192 mL | 1.5958 mL | 3.1915 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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