Rocbrutinib
Based on 1 Customer Validation
Rocbrutinib is an orally available, highly selective Bruton's tyrosine kinase (BTK) inhibitor, with an IC50 of 0.11 nM against wild-type BTK and an IC50 of 1.0 nM against C481S-mutated BTK. Rocbrutinib reduces the viability of leukemia cells, induces cytotoxicity and inhibits cell migration. Rocbrutinib can be used in research related to chronic lymphocytic leukemia, non-Hodgkin's lymphoma and mantle cell lymphoma.
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- Pureza: 99.76%
- No. CAS: 2485861-07-0
- Fòrmula: C42H51N9O5
- Peso molecular:761.91
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Almacenamiento:Powder -20°C, 3 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
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Actividad biológica
Rocbrutinib (LP-168) is a highly selective BTK inhibitor with nanomolar enzymatic potency against both wild-type and BTKC481S[1].
Rocbrutinib (LP-168) (increasing concentrations; 2 hours) inhibits BCR signaling in primary CLL B cells, reducing phosphorylation of BTK and PLCγ2 significantly[1].
Rocbrutinib (LP-168) (2 hours) reduces the migration capacity of primary CLL B cells towards CXCL12 and CXCL14 by over 50%[1].
Rocbrutinib (LP-168) (48 hours) induces dose-dependent cytotoxicity in primary CLL B cells, both in the absence and presence of HS-5 stromal cell support[1].
Rocbrutinib (LP-168) reduces CCL3 and CCL4 chemokine production by primary CLL B cells by 93% each[1].
Rocbrutinib (LP-168) (1 μM) induces modest cytotoxicity and marked reduction of CCL3 and CCL4 production in TMD8 cells expressing BTKT474I[1].
Rocbrutinib (LP-168) induces cytotoxicity and marked reduction of CCL3 and CCL4 production in TMD8 cells expressing BTKC481S[1].
Rocbrutinib forms a covalent bond to BTK's C481 residue and engages in hydrogen bonding with M477, D539, and K430 within the ATP-binding site[2].
Rocbrutinib binds WT BTK (IC50 = 4.7 nM), C481S BTK (IC50 = 49.7 nM), T474I BTK (IC50 = 13.1 nM), and L528W BTK (IC50 = 80.4 nM) with low nanomolar affinity in a NanoBRET assay[2].
Rocbrutinib exhibits nanomolar binding potency to full-length WT BTK and BTK with BTKC481S, BTKV416L, BTKM437R, or BTKL528W mutations in HEK293T cells in an FPCBA[2].
Rocbrutinib inhibits viability of TMD8 cells expressing WT, C481S, T474I, or L528W BTK with nanomolar GI50 potency[2].
Rocbrutinib potently inhibits BCR signaling in TMD8 cells expressing WT, C481S, T474I, or L528W BTK, reducing CCL3/CCL4 cytokine production by >96% and blocking phosphorylation of BTK, PLCγ2, ERK, and AKT[2].
Rocbrutinib (500 nM; 2 hours) inhibits BCR signaling in primary CLL B-cells (including those with BTKC481S), reducing phosphorylation of BTK by 98.9%, PLCγ2 by 85.6%, ERK by 59.3%, and AKT by 68.9%[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Rocbrutinib (50 mg/kg; p.o.; daily) significantly improves median survival to 122 days in Eμ-MTCP1 chronic lymphocytic leukemia engrafted mice[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Eμ-TCL1 (engrafted with chronic lymphocytic leukemia)[2]
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Dosage:50 mg/kg
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Administration:p.o.; daily
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Result:Extended median survival to 51 days, which was significantly improved relative to vehicle and ibrutinib controls.
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Animal Model:Eμ-MTCP1 (engrafted with chronic lymphocytic leukemia)[2]
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Dosage:50 mg/kg
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Administration:p.o.; daily
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Result:Extended median survival to 122 days, which was significantly improved relative to vehicle and ibrutinib controls.
Chemical Information
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No. CAS 2485861-07-0
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Appearance Solid
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Peso molecular 761.91
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Fòrmula C42H51N9O5
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Color White to light yellow
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SMILES
O=C1C2=CC(CC(C)(C3)C)=C3N2CCN1C4=C(C(C(N=C5NC6=CC(NC(C=C)=O)=C(N7[C@H](CN(C8CCOCC8)CC7)C)C=C6)=CN(C)C5=O)=CC=N4)CO
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Synonyms
LP-168
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years In solvent -80°C 6 months -20°C 1 month
Solvente y solubilidad
DMSO : 125 mg/mL (164.06 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Pureza y Documentación
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Ficha de datos (277 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Instrucciones de manejo (2659 KB)
Referencias
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.3125 mL | 6.5625 mL | 13.1249 mL | 32.8123 mL |
| 5 mM | 0.2625 mL | 1.3125 mL | 2.6250 mL | 6.5625 mL | |
| 10 mM | 0.1312 mL | 0.6562 mL | 1.3125 mL | 3.2812 mL | |
| 15 mM | 0.0875 mL | 0.4375 mL | 0.8750 mL | 2.1875 mL | |
| 20 mM | 0.0656 mL | 0.3281 mL | 0.6562 mL | 1.6406 mL | |
| 25 mM | 0.0525 mL | 0.2625 mL | 0.5250 mL | 1.3125 mL | |
| 30 mM | 0.0437 mL | 0.2187 mL | 0.4375 mL | 1.0937 mL | |
| 40 mM | 0.0328 mL | 0.1641 mL | 0.3281 mL | 0.8203 mL | |
| 50 mM | 0.0262 mL | 0.1312 mL | 0.2625 mL | 0.6562 mL | |
| 60 mM | 0.0219 mL | 0.1094 mL | 0.2187 mL | 0.5469 mL | |
| 80 mM | 0.0164 mL | 0.0820 mL | 0.1641 mL | 0.4102 mL | |
| 100 mM | 0.0131 mL | 0.0656 mL | 0.1312 mL | 0.3281 mL |
Rocbrutinib Related Classifications
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