| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
GCPII-IN-1 TFA targets glutamate carboxypeptidase II (GCPII/PSMA) with high affinity, exhibiting a Ki of 44.3 ± 2.4 nM. The compound can be conjugated to biotin-binding proteins or nanoparticles to target GCPII-expressing cells. This targeting capability makes it useful for prostate cancer research and imaging applications.
|
|---|---|
| ln Vitro |
In vitro, GCPII-IN-1 TFA binds to GCPII/PSMA with high affinity (Ki = 44.3 nM). The compound's specificity for GCPII allows it to be used as a targeting moiety for delivering therapeutic or diagnostic agents to PSMA-expressing cells. Its inhibitory activity blocks the enzymatic function of GCPII, which is involved in glutamate metabolism.
|
| ln Vivo |
In vivo, GCPII-IN-1 TFA can be conjugated to nanoparticles or biotin-binding proteins to target GCPII-expressing cells in animal models. This approach has potential applications in prostate cancer imaging and therapy. The compound's utility as a targeting scaffold enables the development of GCPII-directed diagnostic and therapeutic agents.
|
| Enzyme Assay |
Cell-free assays for GCPII-IN-1 TFA involve enzyme inhibition studies using purified GCPII/PSMA protein. The compound's Ki value is determined by measuring the inhibition of GCPII enzymatic activity using a fluorogenic substrate such as N-acetylaspartylglutamate (NAAG) or a synthetic analogue. Enzyme activity is monitored fluorometrically or spectrophotometrically, and inhibition constants are calculated from dose-response curves.
|
| Cell Assay |
In vitro cellular assays involve treating GCPII/PSMA-expressing cell lines (e.g., LNCaP prostate cancer cells) with GCPII-IN-1 TFA conjugated to targeting or therapeutic moieties. Cell binding, uptake, and cytotoxicity are assessed using flow cytometry, fluorescence microscopy, and viability assays. The compound's ability to deliver payloads to target cells is evaluated in these systems.
|
| Animal Protocol |
In vivo animal studies for GCPII-IN-1 TFA involve administration of the compound or its conjugates in mouse models of prostate cancer. Tumor targeting and accumulation are assessed using imaging techniques (e.g., PET, fluorescence imaging) with labeled conjugates. Therapeutic efficacy is evaluated by measuring tumor growth inhibition and survival in xenograft models.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of GCPII-IN-1 TFA are influenced by its conjugation to other molecules. The compound is highly water-soluble (100 mg/mL in water), which facilitates administration. Its small molecular weight (433.33) allows for rapid distribution. PK studies would be required to characterize the behavior of specific conjugates.
|
| Toxicity/Toxicokinetics |
Toxicological data for GCPII-IN-1 TFA are limited. As a small-molecule inhibitor scaffold, its toxicity profile would depend on the specific conjugate or formulation used. The compound's high water solubility and target specificity suggest a potentially favorable safety profile. Standard toxicity assessments would be required for therapeutic development.
|
| References | |
| Additional Infomation |
GCPII-IN-1 TFA is a research compound with no clinical approvals. It is primarily used as a targeting scaffold for prostate cancer research. Its mechanism involves high-affinity binding to GCPII/PSMA (Ki = 44.3 nM), enabling the delivery of therapeutic or diagnostic agents to PSMA-expressing cells. The compound is a valuable tool for developing GCPII-targeted therapies.
|
| Molecular Formula |
C14H22F3N3O9
|
|---|---|
| Molecular Weight |
433.334394931793
|
| Exact Mass |
433.13
|
| CAS # |
1269794-89-9
|
| Related CAS # |
GCPII-IN-1;1025796-32-0
|
| PubChem CID |
155289846
|
| Appearance |
White to off-white solid powder
|
| Hydrogen Bond Donor Count |
7
|
| Hydrogen Bond Acceptor Count |
13
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
29
|
| Complexity |
497
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
FC(C(=O)O)(F)F.OC([C@H](CCCCN)NC(N[C@H](C(=O)O)CCC(=O)O)=O)=O
|
| InChi Key |
FNWDAQBGACVZNV-WSZWBAFRSA-N
|
| InChi Code |
InChI=1S/C12H21N3O7.C2HF3O2/c13-6-2-1-3-7(10(18)19)14-12(22)15-8(11(20)21)4-5-9(16)17;3-2(4,5)1(6)7/h7-8H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)(H2,14,15,22);(H,6,7)/t7-,8-;/m0./s1
|
| Chemical Name |
(2S)-2-[[(1S)-5-amino-1-carboxypentyl]carbamoylamino]pentanedioic acid;2,2,2-trifluoroacetic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
H2O: 100 mg/mL (230.77 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 25 mg/mL (57.69 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3077 mL | 11.5386 mL | 23.0771 mL | |
| 5 mM | 0.4615 mL | 2.3077 mL | 4.6154 mL | |
| 10 mM | 0.2308 mL | 1.1539 mL | 2.3077 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
