| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
Vps34 (IC50 = 4 nM)
Vps34 (vacuolar protein sorting 34, class III PI3K). |
|---|---|
| ln Vitro |
Administration of VPS34-IN1 to cells induces a rapid dose-dependent dispersal of a specific PtdIns(3)P-binding probe from endosome membranes, within 1min, without affecting the ability of class I PI3K to regulate Akt. Additionally, it has the ability to quickly reduce SGK3 phosphorylation by between 50 and 60 percent in just one minute. When it comes to SGK2 isoforms lacking a PtdIns(3)P-binding PX domain, VPS34-IN1 has no inhibitory effect[1].
VPS34-IN1 has an IC50 of 25 nM for Vps34 inhibition and shows no activity against 350 closely related lipid or protein kinases. In cells, it rapidly and dose-dependently induces the dispersion of specific PtdIns(3)P-binding probes from endosomal membranes within 1 minute and causes approximately 50-60% reduction in SGK3 phosphorylation levels. |
| ln Vivo |
No detailed in vivo activity data is available for this compound. As a Vps34 inhibitor with potential antitumor activity, VPS34-IN1 is expected to exhibit efficacy in cancer models by inhibiting autophagy and tumor cell survival, but specific in vivo studies have not been reported.
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| Enzyme Assay |
The compound's inhibition of Vps34 enzymatic activity is assessed in cell-free kinase assays using purified Vps34 enzyme and lipid substrates. The assay measures the production of phosphatidylinositol-3-phosphate (PI3P) in the presence of varying concentrations of the inhibitor to determine the IC50 value of 25 nM.
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| Cell Assay |
VPS34-IN1 is evaluated in cell-based assays using various cancer cell lines to assess its effects on autophagy and cell signaling. Cells are treated with the compound and analyzed for changes in PtdIns(3)P probe localization, SGK3 phosphorylation levels, and autophagosome formation to confirm target engagement and pathway inhibition.
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| Animal Protocol |
No detailed in vivo animal experimental protocol is available for this compound. Typical in vivo studies for Vps34 inhibitors would involve xenograft tumor models in immunodeficient mice to assess antitumor efficacy, with compound administration via intraperitoneal or oral routes.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data is available for VPS34-IN1. With a molecular weight of 425.91, the compound is expected to have moderate drug-like properties, but specific PK parameters have not been reported.
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| Toxicity/Toxicokinetics |
No detailed toxicological data is available for this compound. As a research-grade inhibitor, standard preclinical toxicity studies have not been published.
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| References |
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| Additional Infomation |
VPS34-IN1 has a molecular formula of C21H24ClN7O and a molecular weight of 425.91. The compound selectively inhibits Vps34 without affecting class I and II PI3Ks or a broad panel of protein kinases, making it a valuable tool for studying autophagy and PI3P signaling. It has not advanced to clinical trials and is not FDA-approved.
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| Molecular Formula |
C21H24CLN7O
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|---|---|
| Molecular Weight |
425.9146
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| Exact Mass |
425.173
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| Elemental Analysis |
C, 59.22; H, 5.68; Cl, 8.32; N, 23.02; O, 3.76
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| CAS # |
1383716-33-3
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| Related CAS # |
1383716-33-3
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| PubChem CID |
57404276
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| Appearance |
White to off-white Solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
693.8±65.0 °C at 760 mmHg
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| Flash Point |
373.4±34.3 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.689
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
30
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| Complexity |
549
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1C([H])=C(C([H])=C([H])N=1)N([H])C1=NC([H])=C([H])C(C2=C([H])N=C(N([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])O[H])N=C2C([H])([H])C2([H])C([H])([H])C2([H])[H])=N1
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| InChi Key |
AWNXKZVIZARMME-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28)
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| Chemical Name |
1-[[5-[2-[(2-chloropyridin-4-yl)amino]pyrimidin-4-yl]-4-(cyclopropylmethyl)pyrimidin-2-yl]amino]-2-methylpropan-2-ol
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| Synonyms |
VPS34IN1; VPS34-IN1; VPS34 IN1
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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) |
DMSO: ~85 mg/mL (~199.6 mM)
Ethanol: ~85 mg/mL (~199.6 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.87 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 25.0 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: ≥ 2.5 mg/mL (5.87 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.87 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3479 mL | 11.7396 mL | 23.4791 mL | |
| 5 mM | 0.4696 mL | 2.3479 mL | 4.6958 mL | |
| 10 mM | 0.2348 mL | 1.1740 mL | 2.3479 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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