| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Isocitrate dehydrogenase 1 (IDH1) - (1R)-IDH889 is the inactive isomer, serving as a control.
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|---|---|
| ln Vitro |
(1R)-IDH889 is the (R)-enantiomer of the active IDH1 inhibitor IDH889. Unlike the active (S)-enantiomer, this compound shows no significant inhibition of IDH1 mutant enzymes (e.g., IDH1 R132H). As an inactive isomer, it is expected to have no effect on 2-hydroxyglutarate (2-HG) production in IDH1-mutant cells and no anti-proliferative activity.
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| Enzyme Assay |
(1R)-IDH889 is not typically used in enzyme assays as an inhibitor. Instead, it serves as a negative control. It should be tested in parallel with the active IDH889 isomer in the standard IDH1 enzymatic assay to confirm specificity. The assay uses purified recombinant IDH1 mutant (R132H) enzyme, cofactors (NADP+, isocitrate), and the compound. NADPH production is measured fluorometrically or by absorbance at 340 nm.
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| Cell Assay |
(1R)-IDH889 is used as a control in cell-based assays using IDH1-mutant cancer cell lines (e.g., HT1080 fibrosarcoma or U87MG glioblastoma). Cells are treated with the active compound or the (1R)-inactive isomer. The inactive isomer should not reduce the levels of the oncometabolite 2-hydroxyglutarate (2-HG), which is measured by LC-MS/MS. Cell proliferation assays (MTT or CellTiter-Glo) should show no effect of the inactive control.
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| Animal Protocol |
(1R)-IDH889 is used as an important control in animal efficacy studies. In mouse xenograft models of IDH1-mutant tumors, this inactive isomer is administered at the same dose and route as the active IDH889 compound. It serves as a negative control to ensure that the anti-tumor effects observed are specifically due to IDH1 inhibition and not secondary to non-specific toxicities.
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| ADME/Pharmacokinetics |
Tissue distribution and pharmacokinetics of (1R)-IDH889 likely mirror those of the active IDH889 isomer. It is predicted to be orally bioavailable and brain-penetrant based on its physicochemical properties. However, its exact PK parameters are not typically reported as it is used as a control and not a development candidate.
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| Toxicity/Toxicokinetics |
As an inactive isomer, (1R)-IDH889 is expected to have no on-target toxicities related to IDH1 inhibition. No specific toxicology data are available for this compound. It is generally considered low-risk for research use and does not possess the therapeutic activity of its active counterpart.
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| References | |
| Additional Infomation |
(1R)-IDH889 is the inactive (R)-isomer of the active IDH1 inhibitor IDH889. It is an essential negative control for validating the specificity of the active compound in IDH1 R132-mutant cancer research. Using this inactive control helps researchers confirm that the biological effects observed (e.g., reduced 2-HG, decreased cell proliferation, tumor growth inhibition) are indeed due to on-target IDH1 inhibition and not off-target or non-specific compound effects.
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| Molecular Formula |
C23H25FN6O2
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|---|---|
| Molecular Weight |
436.482007741928
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| Exact Mass |
436.202
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| CAS # |
1429179-08-7
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| Related CAS # |
IDH889;1429179-07-6
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| PubChem CID |
89479416
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| Appearance |
Off-white to yellow solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
32
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| Complexity |
632
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC1=C(C=CC(=C1)C2=CN=C(N=C2)[C@@H](C)NC3=NC=CC(=N3)N4[C@H](COC4=O)C(C)C)F
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| InChi Key |
JDCYIMQAIKEACU-DNVCBOLYSA-N
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| InChi Code |
InChI=1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19-/m1/s1
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| Chemical Name |
(4S)-3-[2-[[(1R)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-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) |
DMSO: 200 mg/mL (458.21 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (11.46 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 50.0 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: ≥ 5 mg/mL (11.46 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 50.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2911 mL | 11.4553 mL | 22.9106 mL | |
| 5 mM | 0.4582 mL | 2.2911 mL | 4.5821 mL | |
| 10 mM | 0.2291 mL | 1.1455 mL | 2.2911 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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