| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
Kd: 7.1 nM (PI5P4Kγ)[1]
Phosphatidylinositol 5-phosphate 4-kinase gamma (PI5P4Kγ). |
|---|---|
| ln Vitro |
ARUK2001607 is a selective inhibitor of PI5P4Kγ with a binding Kd of 7.1 nM. It demonstrates high selectivity, showing no significant activity against more than 150 other kinases in a broad selectivity panel. An X-ray crystal structure of ARUK2001607 in complex with PI5P4Kγ has been solved, confirming its binding mode. The compound also showed good potency against both wild-type and a mutant construct (γ+) of PI5P4Kγ.
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| ln Vivo |
ARUK2001607 (5 mg/kg; ip dose): selected in vivo mouse pharmacokinetic characteristics (15) [1] T1/2 (h) AUC (hr·ng/mL) [plasma] at 0.5h (ng /mL] [brain] at 0.5h (ng/g) Kp ARUK2001607 (15) 0.74 4520 2773 1590 0.58
In vivo pharmacokinetic data for ARUK2001607 have been reported. Following intraperitoneal (ip) administration at 5 mg/kg in mice, the compound exhibited a half-life (T₁/₂) of 0.74 hours and an AUC of 4520 hr·ng/mL. At 0.5 hours post-dose, the plasma concentration was 2773 ng/mL and the brain concentration was 1590 ng/mL, yielding a brain-to-plasma ratio (Kp) of 0.58, indicating good brain penetration. |
| Enzyme Assay |
PI5P4Kγ enzyme inhibition assays are typically performed using biochemical activity assays, such as radiometric or luminescent ADP-Glo™ kinase assays, to measure the compound's inhibitory potency (IC₅₀). Binding affinity (Kd) is determined using surface plasmon resonance (SPR) or similar biophysical methods. Selectivity is assessed by profiling the compound against a panel of more than 150 kinases at a single concentration, followed by IC₅₀ determination for any significant hits.
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| Cell Assay |
While specific cell-based assay data for ARUK2001607 are not detailed in the provided search results, its effects on the PI5P4Kγ signaling pathway can be assessed in relevant cell lines. This typically involves treating cells with the compound and then measuring downstream effects, such as changes in phosphatidylinositol 5-phosphate (PI5P) levels or alterations in cell signaling pathways (e.g., Akt/mTOR) that are regulated by PI5P4Kγ activity.
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| Animal Protocol |
In vivo studies have been conducted in mouse models. Pharmacokinetic parameters were determined following intraperitoneal (ip) administration of the compound at a dose of 5 mg/kg. Blood and brain tissue samples were collected at various time points to assess plasma and brain concentrations, allowing for the calculation of key PK parameters and the brain penetration ratio (Kp).
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| ADME/Pharmacokinetics |
ARUK2001607 has a molecular weight of 319.40 g/mol and is soluble in DMSO (e.g., 30 mg/mL). Its pharmacokinetic properties have been characterized in mice following intraperitoneal administration, revealing a half-life of 0.74 hours and an AUC of 4520 hr·ng/mL. The compound is brain penetrant, with a brain-to-plasma ratio (Kp) of 0.58 at 0.5 hours post-dose. It is recommended to be stored as a powder at -20°C for up to 3 years.
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| Toxicity/Toxicokinetics |
ARUK2001607 has been evaluated against a Cerep safety panel, indicating that its safety profile has been assessed in a broad range of potential off-targets. Specific toxicity data, such as LD₅₀ or detailed adverse effect profiles, are not detailed in the provided search results; however, its characterization as an "in vivo-ready tool molecule" suggests it has been deemed suitable for use in animal studies.
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| References | |
| Additional Infomation |
ARUK2001607 was developed by researchers and described in the Journal of Medicinal Chemistry in December 2022. It is a thienylpyrimidine-based compound identified from a virtual screen and optimized to be a potent and selective tool molecule for studying PI5P4Kγ. PI5P4Kγ is an attractive therapeutic target for diseases such as cancer, neurodegeneration, and immunological disorders. ARUK2001607 is for research use only and is not for human therapeutic use.
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| Molecular Formula |
C14H13N3O2S2
|
|---|---|
| Molecular Weight |
319.401920080185
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| Exact Mass |
319.044
|
| CAS # |
2924824-56-4
|
| PubChem CID |
166175743
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| Appearance |
Light yellow to light brown solid powder
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| LogP |
3.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
3
|
| Heavy Atom Count |
21
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| Complexity |
457
|
| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC2=C(N=CN=C2S1)NC3=CC=C(C=C3)S(=O)(=O)C
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| InChi Key |
QVQHWPLHUNEREE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H13N3O2S2/c1-9-7-12-13(15-8-16-14(12)20-9)17-10-3-5-11(6-4-10)21(2,18)19/h3-8H,1-2H3,(H,15,16,17)
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| Chemical Name |
6-methyl-N-(4-methylsulfonylphenyl)thieno[2,3-d]pyrimidin-4-amine
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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: 25 mg/mL (78.27 mM)
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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 | 3.1309 mL | 15.6544 mL | 31.3087 mL | |
| 5 mM | 0.6262 mL | 3.1309 mL | 6.2617 mL | |
| 10 mM | 0.3131 mL | 1.5654 mL | 3.1309 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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