| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Isocitrate dehydrogenase 1 (IDH1).
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|---|---|
| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
IDH1 Inhibitor 7-d2 is a labeled version of the potent IDH1 inhibitor (IC50 < 100 nM). It is not typically used to assess biological activity itself, but rather as an analytical standard or tracer. The parent compound, IDH1 Inhibitor 7, selectively inhibits IDH1, reducing the production of the oncometabolite 2-hydroxyglutarate (2-HG) in IDH1-mutant cells. The label does not alter the biological activity of the parent. |
| Enzyme Assay |
The standard IDH1 biochemical assay uses purified recombinant IDH1 (mutant or wild-type) enzyme. The reaction mixture contains IDH1, the substrate (isocitrate), cofactor (NADP+), and test compound. NADPH production (a measure of enzyme activity) is monitored continuously at 340 nm in a microplate reader. Alternatively, the production of 2-HG can be measured by LC-MS/MS, where the deuterated compound serves as an internal standard.
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| Cell Assay |
IDH1 Inhibitor 7-d2 is not typically used in cell-based assays for efficacy. Instead, the parent compound (non-deuterated) is used to treat IDH1-mutant cancer cell lines (e.g., HT1080, U87MG). The cellular production of 2-HG is measured by LC-MS/MS, and the labeled compound can be used as an internal standard for accurate quantification. Effects on cell proliferation and differentiation are also assessed.
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| Animal Protocol |
As a deuterated internal standard, IDH1 Inhibitor 7-d2 is primarily used in the development of PK assays. It is co-administered or spiked into samples to accurately quantify the concentration of IDH1-targeting drugs in plasma and tissue samples. The in vivo activity of the parent compound would be assessed in xenograft models, measuring tumor 2-HG reduction and tumor growth inhibition.
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| ADME/Pharmacokinetics |
IDH1 Inhibitor 7-d2 itself is not used for PK studies of its own therapeutic properties. Instead, it serves as an internal standard for the quantitative bioanalysis of the parent IDH1 Inhibitor 7 or other IDH1 inhibitors in biological matrices. Deuterium labeling provides a mass shift for LC-MS/MS detection without altering the extraction recovery or ionization efficiency.
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| Toxicity/Toxicokinetics |
No specific toxicology data are available for the deuterated compound. The parent compound, IDH1 Inhibitor 7, is an investigational inhibitor with an acceptable safety profile in preclinical studies. The isotopic substitution is not expected to introduce additional toxicity. Standard handling precautions for research chemicals apply.
|
| References | |
| Additional Infomation |
IDH1 Inhibitor 7-d2 is a research chemical and not an approved drug. It is a stable isotope-labeled internal standard used in LC-MS/MS bioanalytical method development for IDH1 inhibitors. The incorporation of deuterium atoms improves the compound's stability against metabolic degradation, making it an ideal internal standard for accurate and precise quantification of IDH1 inhibitor concentrations in preclinical and clinical research samples.
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| Molecular Formula |
C22H24F3N7O
|
|---|---|
| Molecular Weight |
461.48
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| Exact Mass |
461.211
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| CAS # |
2135309-51-0
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| Related CAS # |
IDH1 Inhibitor 7;2135309-56-5
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| PubChem CID |
137440052
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| Appearance |
White to off-white solid powder
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| LogP |
3.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
33
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| Complexity |
671
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C([C@H]1C([2H])([2H])NC(N1C1C=CN=C(N=1)N[C@H](C1N=CN(C2C=CC(=CC=2)C(F)(F)F)C=1)C)=O)(C)C
|
| InChi Key |
LVRDYDOHWFEBQG-RDMILJEOSA-N
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| InChi Code |
InChI=1S/C22H24F3N7O/c1-13(2)18-10-27-21(33)32(18)19-8-9-26-20(30-19)29-14(3)17-11-31(12-28-17)16-6-4-15(5-7-16)22(23,24)25/h4-9,11-14,18H,10H2,1-3H3,(H,27,33)(H,26,29,30)/t14-,18+/m0/s1/i10D2
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| Chemical Name |
(5S)-4,4-dideuterio-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
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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) |
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 | 2.1669 mL | 10.8347 mL | 21.6694 mL | |
| 5 mM | 0.4334 mL | 2.1669 mL | 4.3339 mL | |
| 10 mM | 0.2167 mL | 1.0835 mL | 2.1669 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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