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| 10mg |
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| 25mg |
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| Targets |
The primary target of AP1867-2-(carboxymethoxy) is FKBP12F36V, a mutant form of the FK506-binding protein. This ligand binds to FKBP12F36V with high affinity. In a PROTAC or dTAG context, this ligand is used to recruit the FKBP12F36V-tagged protein of interest to an E3 ubiquitin ligase for degradation. It is a key component for targeted protein degradation systems.
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|---|---|
| ln Vitro |
It is the dTAG molecule that binds CRBN and FKBP12F36V[1].
In vitro, AP1867-2-(carboxymethoxy) functions as a ligand for FKBP12F36V. When incorporated into PROTACs, it enables the targeted degradation of FKBP12F36V-fused proteins. Its carboxylic acid group allows for conjugation to linkers and E3 ligase ligands. It is a valuable tool for studying protein function through induced degradation. |
| ln Vivo |
In vivo data for AP1867-2-(carboxymethoxy) are derived from studies using PROTACs or dTAG molecules containing this ligand. These systems have been used to induce degradation of target proteins in animal models, demonstrating the utility of this ligand for in vivo studies. The specific in vivo efficacy depends on the target protein and the overall PROTAC design.
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| Enzyme Assay |
For binding assays, the affinity of AP1867-2-(carboxymethoxy) for FKBP12F36V can be measured using SPR or fluorescence polarization. For PROTAC synthesis, the carboxylic acid group is conjugated to a linker and an E3 ligase ligand using standard amide coupling chemistry. The resulting PROTAC is purified and characterized by mass spectrometry.
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| Cell Assay |
For cellular studies, cells expressing FKBP12F36V-fused target proteins are cultured. PROTACs containing AP1867-2-(carboxymethoxy) are added to the culture medium. Target protein levels are analyzed by Western blot. Cell viability and other functional assays are performed to assess the effects of target degradation.
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| Animal Protocol |
For in vivo efficacy studies, mice bearing tumors expressing FKBP12F36V-fused proteins are used. PROTACs containing AP1867-2-(carboxymethoxy) are formulated in vehicle and administered intraperitoneally or intravenously. Tumor growth is monitored. At study termination, tumors are excised and processed for Western blot analysis to confirm target degradation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of AP1867-2-(carboxymethoxy) are studied as part of the complete PROTAC molecule. The ligand's properties contribute to the overall PK of the PROTAC. Specific PK data for the ligand alone are not extensively reported. The compound's design is optimized for PROTAC applications.
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| Toxicity/Toxicokinetics |
Toxicological data for AP1867-2-(carboxymethoxy) are limited. As a research compound, no acute toxicity, organ-specific toxicity, or mutagenicity data have been reported. As with all research chemicals, appropriate safety precautions should be taken during handling.
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| References | |
| Additional Infomation |
AP1867-2-(carboxymethoxy) (CAS 2230613-03-1) is a ligand based on AP1867 for FKBP12F36V. It is used in PROTAC and dTAG synthesis. It has the molecular formula C₃₈H₄₇NO₁₁ and a molecular weight of 693.78. It enables targeted protein degradation and is strictly for research use.
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| Molecular Formula |
C38H47NO11
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|---|---|
| Molecular Weight |
693.779892206192
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| Exact Mass |
693.314
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| CAS # |
2230613-03-1
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| PubChem CID |
133080821
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| Appearance |
White to off-white solid powder
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| LogP |
6.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
18
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| Heavy Atom Count |
50
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| Complexity |
1050
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| Defined Atom Stereocenter Count |
3
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| SMILES |
O([C@H](C1C=CC=CC=1OCC(=O)O)CCC1C=CC(=C(C=1)OC)OC)C([C@H]1CCCCN1C([C@@H](C1C=C(C(=C(C=1)OC)OC)OC)CC)=O)=O
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| InChi Key |
UYXSZUBFOQLRNQ-BTIIJPOSSA-N
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| InChi Code |
InChI=1S/C38H47NO11/c1-7-26(25-21-33(46-4)36(48-6)34(22-25)47-5)37(42)39-19-11-10-13-28(39)38(43)50-30(27-12-8-9-14-29(27)49-23-35(40)41)17-15-24-16-18-31(44-2)32(20-24)45-3/h8-9,12,14,16,18,20-22,26,28,30H,7,10-11,13,15,17,19,23H2,1-6H3,(H,40,41)/t26-,28-,30+/m0/s1
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| Chemical Name |
2-[2-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetic 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (~144.14 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5.5 mg/mL (7.93 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 55.0 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: ≥ 5.5 mg/mL (7.93 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 55.0 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 | 1.4414 mL | 7.2069 mL | 14.4138 mL | |
| 5 mM | 0.2883 mL | 1.4414 mL | 2.8828 mL | |
| 10 mM | 0.1441 mL | 0.7207 mL | 1.4414 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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