| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
PI3K
Duvelisib R enantiomer targets phosphoinositide 3-kinases (PI3K), but it is the less active enantiomer compared to the S-enantiomer (Duvelisib). The active Duvelisib is a selective p110δ inhibitor with IC50 values of 2.5 nM for p110δ, 27.4 nM for p110γ, 85 nM for p110β, and 1602 nM for p110α. The R enantiomer serves as a control for studying the stereospecificity of PI3K inhibition. |
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| ln Vitro |
Duvelisib is a selectivite p100δ inhibitor with IC50 of 2.5 nM, 27.4 nM, 85 nM and 1602 nM for p110δ, P110γ, p110β and p110α, respectively. PI3Kδ and PI3Kγ inhibition with IPI-145 has anti-proliferative activity in primary AML cells by inhibiting the activity of AKT and MAPK. Pre-treatment of AML cells with IPI-145 inhibits both adhesion and migration of AML blasts to bone marrow stromal cells
Cell Assay: IPI-145 suppresses murine/human B-cell proliferation with EC50 of 0.5 nM/0.5 nM and also inhibits human T-cell proliferation with EC50 of 9.5 nM. In vitro, Duvelisib R enantiomer is a PI3K inhibitor that is less active than the S-enantiomer. As the less active enantiomer, it is used as a control or reference compound in studies comparing the activity of the two enantiomers of Duvelisib. The active Duvelisib (S-enantiomer) has IC50 values of 2.5 nM for p110δ, 27.4 nM for p110γ, 85 nM for p110β, and 1602 nM for p110α. |
| ln Vivo |
IPI-145 (10 mg/kg, p.o.) shows well pharmacokinetics with Cmax and AUC of 390 ng/mL and 137 ng•h/mL in mouse and rat. IPI-145 (10 mg/kg) is active in murine DTH model with ~50% ear swelling. IPI-145 (10 mg/kg) demonstrates dose-dependent effect in rat collagen induced arthritis (CIA) model. IPI-145 prevents inflammation and protects joint bone and cartilage in the rat CIA model. IPI-145 (10 mg/kg,QD) demonstrates activity in rat adjuvant induced polyarthritis model.
Specific in vivo activity data for Duvelisib R enantiomer are not applicable as the compound is the less active enantiomer and is primarily used as a control or reference compound. It is not expected to have significant pharmacological activity in vivo compared to the active S-enantiomer. The compound is used in research to study the stereospecificity of PI3K inhibitors. |
| Enzyme Assay |
The PI3K inhibition assay for Duvelisib R enantiomer involves incubating the compound with recombinant PI3K isoforms (p110α, p110β, p110δ, p110γ) in the presence of ATP and a lipid substrate (phosphatidylinositol-4,5-bisphosphate). The reaction is carried out in a kinase buffer optimized for each isoform. The production of phosphatidylinositol-3,4,5-trisphosphate is quantified using a luminescence-based assay or ELISA. IC50 values are calculated from dose-response curves.
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| Cell Assay |
IPI-145 suppresses murine/human B-cell proliferation with EC50 of 0.5 nM/0.5 nM and also inhibits human T-cell proliferation with EC50 of 9.5 nM.
To evaluate the cellular activity of Duvelisib R enantiomer, cells expressing PI3K isoforms are seeded in 96-well plates and treated with varying concentrations of the R enantiomer. PI3K pathway activity is assessed by measuring AKT phosphorylation (pAKT) using ELISA or Western blot. Cell proliferation can be measured using an MTT or CellTiter-Glo assay. The R enantiomer is expected to show lower potency compared to the S-enantiomer. |
| Animal Protocol |
10 mg/kg, p.o. Mouse and rat with collagen induced arthritis (CIA) model.
Specific in vivo animal experiment protocols for Duvelisib R enantiomer are not applicable as the compound is the less active enantiomer and is primarily used as a control in research studies. It is not intended for therapeutic development or in vivo efficacy studies due to its low potency. The compound is used in research to study the stereospecificity and structure-activity relationship of PI3K inhibitors. |
| ADME/Pharmacokinetics |
Specific pharmacokinetic data for Duvelisib R enantiomer are not provided in the available sources. The compound has a molecular weight of 416.86 and a molecular formula of C22H17ClN6O. As the less active enantiomer, it is primarily used as a research tool. Standard pharmacokinetic studies are not typically performed for less active enantiomers unless they are being evaluated as potential impurities or metabolites.
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| Toxicity/Toxicokinetics |
Specific toxicity data for Duvelisib R enantiomer are not provided in the available sources. As a research compound, it is intended for laboratory use only and is not approved for human therapeutic applications. The compound is the less active enantiomer of Duvelisib and is used primarily as a control or reference compound. Standard safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Duvelisib R enantiomer is the R-isomer of Duvelisib (IPI-145, INK1197, Copiktra) and is the less active enantiomer. The active Duvelisib (S-enantiomer) is a selective p110δ inhibitor with IC50 values of 2.5 nM for p110δ, 27.4 nM for p110γ, 85 nM for p110β, and 1602 nM for p110α. The R enantiomer is used as a research tool to study the role of stereochemistry in PI3K signaling.
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| Molecular Formula |
C22H17CLN6O
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|---|---|---|
| Molecular Weight |
416.86
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| Exact Mass |
416.115
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| CAS # |
1261590-48-0
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| Related CAS # |
Duvelisib;1201438-56-3
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| PubChem CID |
68353646
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| Appearance |
White to gray solid
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
757.8±60.0 °C at 760 mmHg
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| Flash Point |
412.1±32.9 °C
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| Vapour Pressure |
0.0±2.6 mmHg at 25°C
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| Index of Refraction |
1.757
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| LogP |
4.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
30
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| Complexity |
668
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| Defined Atom Stereocenter Count |
1
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| SMILES |
ClC1=C([H])C([H])=C([H])C2=C1C(N(C1C([H])=C([H])C([H])=C([H])C=1[H])C(=C2[H])C([H])(C([H])([H])[H])N([H])C1C2=C(N=C([H])N=1)N=C([H])N2[H])=O
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| InChi Key |
SJVQHLPISAIATJ-CYBMUJFWSA-N
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| InChi Code |
InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m1/s1
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| Chemical Name |
8-chloro-2-phenyl-3-[(1R)-1-(7H-purin-6-ylamino)ethyl]isoquinolin-1-one
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.00 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.00 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. View More
Solubility in Formulation 3: ≥ 2.38 mg/mL (5.71 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. Solubility in Formulation 4: 30% PEG400+0.5% Tween80+5% Propylene glycol : 30mg/mL |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3989 mL | 11.9944 mL | 23.9889 mL | |
| 5 mM | 0.4798 mL | 2.3989 mL | 4.7978 mL | |
| 10 mM | 0.2399 mL | 1.1994 mL | 2.3989 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.
 Targeting PI3K inhibits AML survival in AML cell lines and primary AML blasts.Oncotarget.2016 Jun 28;7(26):39784-39795. |
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 IPI-145 inhibits AKT phosphorylation in AML.Oncotarget.2016 Jun 28;7(26):39784-39795. |
 IPI-145 inhibits adhesion of AML blasts to primary BMSC.Oncotarget.2016 Jun 28;7(26):39784-39795. |
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