| Size | Price | Stock | Qty |
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| Targets |
The molecular target of (S,R,S)-AHPC-C3-NH2 dihydrochloride is the von Hippel-Lindau (VHL) protein, a substrate recognition component of the E3 ubiquitin ligase complex. The VH032-based ligand within this compound binds to the VHL protein and recruits the E3 ubiquitin ligase machinery. In the context of PROTAC technology, this compound serves as the E3 ligase recognition element, while the C3 linker provides a spacer for conjugation to a target protein ligand.
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| ln Vitro |
In vitro studies demonstrate that (S,R,S)-AHPC-C3-NH2 dihydrochloride functions as a key component in PROTAC molecules. The compound contains a VHL ligand that binds to the E3 ubiquitin ligase and a C3 linker with a terminal amine that can be conjugated to a target protein ligand. The C3 spacer provides appropriate length and flexibility for the formation of the ternary complex between the target protein, PROTAC, and E3 ligase. This compound is typically used as a synthetic intermediate in the preparation of complete PROTAC molecules.
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| ln Vivo |
In vivo activity data for (S,R,S)-AHPC-C3-NH2 dihydrochloride as a standalone compound are not reported, as it is utilized as a synthetic intermediate or linker component in PROTAC design rather than as a therapeutic agent itself. The in vivo efficacy of PROTAC molecules incorporating this VHL ligand and C3 linker would depend on the specific target protein ligand and the overall pharmacokinetic properties of the complete PROTAC construct.
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| Enzyme Assay |
In vitro assays for evaluating (S,R,S)-AHPC-C3-NH2 dihydrochloride typically involve binding studies to assess its interaction with the VHL protein. Surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) can be used to measure the binding affinity between the VH032-based ligand and VHL. Additionally, ternary complex formation assays can be performed to evaluate the ability of PROTAC molecules containing this linker to simultaneously engage both the VHL E3 ligase and the target protein.
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| Cell Assay |
In vitro cell-based assays for (S,R,S)-AHPC-C3-NH2 dihydrochloride typically involve its incorporation into PROTAC molecules followed by evaluation of target protein degradation in cultured cells. Cells are treated with PROTACs containing this VHL ligand and C3 linker, and the levels of the target protein are measured by Western blotting or immunofluorescence to assess degradation efficiency. Dose-response experiments are performed to determine the DC50 of the PROTAC construct.
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| Animal Protocol |
In vivo animal studies using (S,R,S)-AHPC-C3-NH2 dihydrochloride are conducted as part of the evaluation of complete PROTAC molecules that incorporate this VHL ligand and C3 linker. Typical protocols involve administering PROTAC constructs to mouse xenograft models or disease-relevant animal models, followed by assessment of target protein degradation in harvested tissues via Western blot or immunohistochemistry. Pharmacodynamic endpoints include measurement of target protein levels and tumor growth inhibition.
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| ADME/Pharmacokinetics |
(S,R,S)-AHPC-C3-NH2 dihydrochloride has a molecular formula of C26H39Cl2N5O4S and a molecular weight of 588.59. The CAS number is 2564467-25-8. The compound appears as a powder. It has a purity of 95%. It should be stored at -20°C. It is a synthesized E3 ligase ligand-linker conjugate.
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| Toxicity/Toxicokinetics |
The toxicity profile of (S,R,S)-AHPC-C3-NH2 dihydrochloride as an individual compound is not extensively characterized, as it is primarily used as a research reagent and synthetic intermediate for PROTAC development. The compound is intended for research use only and is not approved for therapeutic use in humans. Standard laboratory safety practices should be followed.
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| References | |
| Additional Infomation |
(S,R,S)-AHPC-C3-NH2 dihydrochloride (VH032-C3-NH2 dihydrochloride) (CAS 2564467-25-8) is a synthesized E3 ligase ligand-linker conjugate that incorporates the VH032-based VHL ligand and a linker used in PROTAC technology. It is the dihydrochloride form of (S,R,S)-AHPC-C3-NH2. It has a molecular formula of C26H39Cl2N5O4S and a molecular weight of 588.59.
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| Molecular Formula |
C26H38CLN5O4S
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| Molecular Weight |
552.13
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| Exact Mass |
587.209
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| CAS # |
2564467-25-8
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| Related CAS # |
(S,R,S)-AHPC-C3-NH2 hydrochloride;2940858-65-9;(S,R,S)-AHPC-C3-NH2;2361119-88-0;(S,R,S)-AHPC-C3-NH2 TFA;2688842-02-4
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| PubChem CID |
155970206
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| Appearance |
White to light yellow solid powder
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
38
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| Complexity |
768
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| Defined Atom Stereocenter Count |
3
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| SMILES |
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCN)O.Cl.Cl
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| InChi Key |
WMBHSWGXRVCMQP-YEMZLKFISA-N
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| InChi Code |
InChI=1S/C26H37N5O4S.2ClH/c1-16-22(36-15-29-16)18-9-7-17(8-10-18)13-28-24(34)20-12-19(32)14-31(20)25(35)23(26(2,3)4)30-21(33)6-5-11-27;;/h7-10,15,19-20,23,32H,5-6,11-14,27H2,1-4H3,(H,28,34)(H,30,33);2*1H/t19-,20+,23-;;/m1../s1
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| Chemical Name |
(2S,4R)-1-[(2S)-2-(4-aminobutanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
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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: Please store this product in a sealed and protected environment, 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.8112 mL | 9.0558 mL | 18.1117 mL | |
| 5 mM | 0.3622 mL | 1.8112 mL | 3.6223 mL | |
| 10 mM | 0.1811 mL | 0.9056 mL | 1.8112 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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