| 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 |
PI3Kδ 145 nM (IC50)
Roginolisib hemifumarate targets the delta isoform of phosphoinositide 3-kinase (PI3Kdelta). It is a selective PI3Kdelta inhibitor with an IC50 of 145 nM (or 19 nM in some reports) and shows highly selective against a panel of 278 additional kinases, confirming its specificity for the PI3Kdelta isoform. |
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| ln Vitro |
In Ramos B cells, roginolisib hemifumarate (0–10 μM; 1 hour) fully eliminated BCR-induced pAkt in a concentration-dependent manner, with IC50 values as low as 280 nM[1]. Roginolisib hemifumarate has an IC50 of 48 nM and suppresses B cell proliferation in a concentration-dependent manner. In human primary cells, roginolisib hemifumarate inhibits TLR-induced IFNα by pDC and BCR- and TCR-mediated responses in lymphocytes[1].
In cellular assays, Roginolisib hemifumarate inhibits TLR-induced IFNalpha in human primary cells and suppresses PI3Kdelta-dependent signaling. It shows highly selective activity against PI3Kdelta over PI3Kbeta (0.43 uM), Vps34 (9 uM), and PI3Kalpha (10.1 uM). |
| ln Vivo |
In a murine model of SLE, roginolisib hemifumarate (6.6–66 mg/kg; daily from week 2 to week 10) reduces clinical manifestations[1].
No detailed in vivo efficacy data is provided. As an orally active PI3Kdelta inhibitor with good selectivity, Roginolisib hemifumarate is expected to show efficacy in mouse models of B-cell malignancies, autoimmune diseases, and inflammatory conditions where PI3Kdelta signaling is dysregulated. |
| Enzyme Assay |
A biochemical PI3Kdelta kinase inhibition assay is performed using purified recombinant PI3Kdelta enzyme. Increasing concentrations of Roginolisib hemifumarate are incubated with the enzyme, ATP, and a PIP2 substrate. After the reaction, the amount of PIP3 produced is measured using a homogeneous time-resolved fluorescence (HTRF) or ADP-Glo detection system to calculate the IC50 value (145 nM).
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: B cells Tested Concentrations: 0-10 μM Incubation Duration: 1 hour Experimental Results: Inhibited B cell proliferation in a concentration-dependent manner with an IC50 of 48 nM. For cell-based assays, primary human peripheral blood mononuclear cells (PBMCs) or B-cell lines are treated with increasing concentrations of Roginolisib hemifumarate for 1-2 hours, followed by stimulation with anti-IgM or TLR ligands to activate PI3Kdelta signaling. AKT phosphorylation at Ser473 is measured by Western blot or phospho-specific ELISA to assess target engagement and pathway inhibition. |
| Animal Protocol |
Animal/Disease Models: NZB/W F1 female mice[1]
Doses: 6.6, 22, or 66 mg /kg Route of Administration: Oral; starting at week 2 post ADV-IFNα delivery, one time/day at 10 weeks Experimental Results: Dramatically decreased proteinuria incidence and severity in a dose-dependent manner. No in vivo animal experiment data is available for this compound. |
| ADME/Pharmacokinetics |
As an orally active compound, Roginolisib hemifumarate is designed to have favorable bioavailability and absorption characteristics. Detailed PK parameters (Cmax, Tmax, half-life) have not been reported in the provided references.
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| Toxicity/Toxicokinetics |
No specific toxicology data is reported for Roginolisib hemifumarate. As a selective PI3Kdelta inhibitor, potential class-related toxicities may include infection risk, hepatotoxicity, and colitis, which are typically assessed in preclinical safety studies.
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| References | |
| Additional Infomation |
Roginolisib hemifumarate (CAS: 1621688-31-0) is a potent, orally active, and selective PI3Kdelta inhibitor (IC50 = 145 nM). It is a first-in-class, non-ATP-competitive, oral allosteric modulator of PI3Kdelta with high selectivity against 278 additional kinases. Synonyms include MSC2360844 hemifumarate and IOA-244 hemifumarate. It is used for research in inflammatory diseases and oncology.
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| Molecular Formula |
C11H18FN2O14P3
|
|---|---|
| Molecular Weight |
514.19
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| Exact Mass |
1168.348
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| CAS # |
1621688-31-0
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| Related CAS # |
Roginolisib;1305267-37-1
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| PubChem CID |
77050629
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
20
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
82
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| Complexity |
1030
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1C=CN(C(=O)N1)[C@H]1[C@@](F)(C)C(O)[C@@H](COP(OP(O)(=O)OP(O)(=O)O)(O)=O)OC1
|
| InChi Key |
GSMZEFQGEJPDES-WXXKFALUSA-N
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| InChi Code |
InChI=1S/2C26H27FN4O5S.C4H4O4/c2*27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19)16-29-8-12-35-13-9-29;5-3(6)1-2-4(7)8/h2*1-7H,8-17H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+
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| Chemical Name |
(E)-but-2-enedioic acid;[6-fluoro-1-[4-(morpholin-4-ylmethyl)phenyl]-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazol-3-yl]-morpholin-4-ylmethanone
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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: 100 mg/mL (171.05 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.28 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.
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 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: ≥ 2.5 mg/mL (4.28 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.28 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9448 mL | 9.7240 mL | 19.4481 mL | |
| 5 mM | 0.3890 mL | 1.9448 mL | 3.8896 mL | |
| 10 mM | 0.1945 mL | 0.9724 mL | 1.9448 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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