| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
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| Other Sizes |
| Targets |
Mutant isocitrate dehydrogenase 1 (IDH1 R132H).
|
|---|---|
| ln Vitro |
Mutant IDH1-IN-4 inhibits mutant IDH1 with IC50 values of ≤ 0.5 μM in R132H, HT1080, and U87R132H cells. It selectively targets the mutant enzyme without affecting wild-type IDH1. The compound reduces 2-hydroxyglutarate (2-HG) production, the oncometabolite generated by mutant IDH1, in cellular assays.
|
| ln Vivo |
No specific in vivo efficacy data are available for Mutant IDH1-IN-4. As a selective mutant IDH1 inhibitor, it would be expected to reduce 2-HG levels and inhibit tumor growth in IDH1-mutant xenograft models, but no published animal study results are currently documented.
|
| Enzyme Assay |
The mutant IDH1 enzymatic assay uses recombinant IDH1 R132H protein, NADPH, and α-ketoglutarate. The reaction produces NADP+ and 2-hydroxyglutarate. Test compounds are added at varying concentrations, and enzyme activity is measured by monitoring NADPH consumption at 340 nm or by quantifying 2-HG production using mass spectrometry.
|
| Cell Assay |
In cellular assays, IDH1-mutant cancer cell lines (e.g., HT1080, U87R132H) are treated with Mutant IDH1-IN-4. 2-HG levels in culture medium and cell lysates are measured by LC-MS. Cell proliferation is assessed using a viability assay. Differentiation markers are evaluated in appropriate cell models.
|
| Animal Protocol |
No specific in vivo animal study protocols are documented for Mutant IDH1-IN-4. General xenograft models using IDH1-mutant cancer cells could be used, with the compound administered orally or intraperitoneally, and tumor 2-HG levels and growth inhibition assessed.
|
| References |
| Molecular Formula |
C25H34N4O3
|
|---|---|
| Molecular Weight |
438.562466144562
|
| Exact Mass |
438.263
|
| CAS # |
1416270-18-2
|
| PubChem CID |
71119107
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| Appearance |
Light yellow to yellow solid powder
|
| LogP |
1.8
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
32
|
| Complexity |
756
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
O1CC2C(CC1(C)C)=C(C#N)C(=NC=2C1CC1)N1CCN(C(CCOC)=O)[C@@H](C1)C1CC1
|
| InChi Key |
GNDMXEAGAZOBEM-NRFANRHFSA-N
|
| InChi Code |
InChI=1S/C25H34N4O3/c1-25(2)12-18-19(13-26)24(27-23(17-6-7-17)20(18)15-32-25)28-9-10-29(22(30)8-11-31-3)21(14-28)16-4-5-16/h16-17,21H,4-12,14-15H2,1-3H3/t21-/m0/s1
|
| Chemical Name |
(R)-8-cyclopropyl-6-(3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl)-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
|
| Synonyms |
Mutant IDH1-IN 4Mutant IDH1 IN-4Mutant IDH1 IN 4 Mutant IDH1-IN-4
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| HS Tariff Code |
2934.99.9001
|
| 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) |
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
|
|---|---|
| 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 | 2.2802 mL | 11.4009 mL | 22.8019 mL | |
| 5 mM | 0.4560 mL | 2.2802 mL | 4.5604 mL | |
| 10 mM | 0.2280 mL | 1.1401 mL | 2.2802 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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