| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
The targeting moiety is Glu-urea-Glu, which binds PSMA with high affinity. The NHS ester reacts with primary amines to form stable amide bonds, allowing attachment of the PSMA-binding pharmacophore to imaging or therapeutic payloads.
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|---|---|
| ln Vitro |
The NHS ester conjugation efficiency is pH-dependent (optimal at pH 8.3–8.5), and the resulting PSMA conjugates retain high PSMA binding affinity. PSMA binding is measured by competition assays with radiolabeled PSMA ligands, with IC50 values in the low-nanomolar range for optimized conjugates.
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| ln Vivo |
No in vivo activity is defined for the free NHS ester. In PSMA-targeted radioligand conjugates, in vivo performance is reflected in tumor uptake and retention, which depend on the final conjugate rather than the precursor.
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| Enzyme Assay |
The NHS ester is conjugated to an amine-containing chelator or peptide in bicarbonate buffer (pH 8.3–8.5) at room temperature for 1–2 h; the product is purified by HPLC, and conjugation efficiency is confirmed by LC-MS. PSMA binding affinity of the conjugate is measured by competitive radioligand binding using PSMA-expressing LNCaP cells.
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| Cell Assay |
No cell-based assay is specific to the free NHS ester. PSMA-targeted conjugates are evaluated in PSMA-positive (LNCaP) and PSMA-negative cells; binding and internalization are measured by flow cytometry or fluorescence microscopy, and cytotoxicity (for radioligand therapeutics) is assessed by clonogenic survival.
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| Animal Protocol |
In PSMA-targeted imaging or therapy studies, the final conjugate is administered intravenously to tumor-bearing mice; tumor uptake is measured by PET/SPECT imaging or ex vivo biodistribution, and therapeutic efficacy is assessed by tumor growth inhibition for radioligand conjugates.
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| References |
| Molecular Formula |
C27H43N3O11
|
|---|---|
| Molecular Weight |
585.643828630447
|
| Exact Mass |
585.289
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| CAS # |
1228927-36-3
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| PubChem CID |
59404242
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| Appearance |
White to off-white solid powder
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| LogP |
1.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
18
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| Heavy Atom Count |
41
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| Complexity |
1000
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| Defined Atom Stereocenter Count |
2
|
| SMILES |
CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)N[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C
|
| InChi Key |
RLHXPXLWGMDVAY-IRXDYDNUSA-N
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| InChi Code |
InChI=1S/C27H43N3O11/c1-25(2,3)38-20(33)14-10-16(22(35)39-26(4,5)6)28-24(37)29-17(23(36)40-27(7,8)9)11-15-21(34)41-30-18(31)12-13-19(30)32/h16-17H,10-15H2,1-9H3,(H2,28,29,37)/t16-,17-/m0/s1
|
| Chemical Name |
ditert-butyl (2S)-2-[[(2S)-5-(2,5-dioxopyrrolidin-1-yl)oxy-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]pentanedioate
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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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~170.75 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.27 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7075 mL | 8.5377 mL | 17.0753 mL | |
| 5 mM | 0.3415 mL | 1.7075 mL | 3.4151 mL | |
| 10 mM | 0.1708 mL | 0.8538 mL | 1.7075 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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