| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
BIIB068 targets Bruton's tyrosine kinase (BTK), a key enzyme in the B cell receptor signaling pathway. By inhibiting BTK, BIIB068 reduces abnormal immune activation while preserving overall immune balance. This makes it a target for therapies aimed at autoimmune conditions characterized by dysregulated B cell activity.
|
|---|---|
| ln Vitro |
BIIB068 (Compound 1) raises the potency of whole blood cells (human whole blood BTK phosphorylation; IC50 = 0.12 µM) [1]. BIIB068 (Compound 1; 30 µM, 10 µM, 3.3 µM, and 1.1 µM) suppresses anti-IgD and anti-IgM BCR-induced B cell activation in human PBMC (IC50= 0.11 µM and 0.21 µM, respectively), as well as BCR-mediated PLCγ2 phosphorylation in Ramos B cells (IC50= 0.4 µM) [1]. With an IC50 of 54 nM, BIIB068 (Compound 1) suppresses FcγR -Mediates ROS generation in neutrophils[1].
In vitro, BIIB068 is a potent BTK inhibitor with an IC50 of 1 nM. It has a Kd of 0.3 nM, indicating high binding affinity. The compound exhibits >400-fold selectivity for BTK over other kinases. It has been shown to improve whole blood cell potency. |
| ln Vivo |
BIIB068 (Compound 1) is stable in the plasma of mice, rats, beagle dogs, and cynomolgus monkeys (>95% of parent compound surviving after 6 hours of incubation) [1]. BIIB068 (Compound 1) displayed good drug-like characteristics (LLE = 5), resulting in low body clearance (CL %Qh = 6) and moderate oral bioavailability (%F = 48) when administered in rats . BIIB068 (5 mg/kg; oral) therapy revealed T1/2 of 1.2 hours, 2.1 hours, and 0.9 hours in rats, dogs, and cynomolgus monkeys, respectively. BIIB068 demonstrates adequate ADME (absorption, distribution, metabolism and excretion) qualities [1].
In vivo activity data for BIIB068 are not extensively detailed in the available sources. The compound is orally active and has been investigated for treating autoimmune and inflammatory diseases. It has potential for use in conditions such as multiple sclerosis and systemic lupus erythematosus. |
| Enzyme Assay |
The in vitro enzyme assay for BIIB068 involves measuring the inhibition of BTK kinase activity. Recombinant BTK is incubated with a substrate peptide and ATP in the presence of varying compound concentrations. The IC50 of 1 nM is determined by quantifying the reduction in substrate phosphorylation.
|
| Cell Assay |
Cellular assays for BIIB068 are performed using B cells or other relevant cell lines. Cells are treated with the compound at various concentrations. BTK phosphorylation and downstream signaling are assessed by Western blotting using phospho-specific antibodies. The compound's ability to inhibit B cell activation is evaluated.
|
| Animal Protocol |
In vivo animal studies for BIIB068 are not detailed in the available sources. The compound has been investigated for treating autoimmune and inflammatory diseases. Specific animal models, dosing regimens, and efficacy data have not been reported in the supplier documentation.
|
| ADME/Pharmacokinetics |
BIIB068 is an orally active compound. It has a molecular weight of approximately 464.54 g/mol. Specific PK parameters such as half-life, bioavailability, and clearance are not detailed in the available sources but are available in the primary literature.
|
| Toxicity/Toxicokinetics |
Toxicity data for BIIB068 are not reported in the available sources. As an investigational compound, it has been evaluated in preclinical models. Specific toxicological profiles are not provided in the supplier documentation.
|
| References | |
| Additional Infomation |
BIIB068 is a research compound being investigated for the treatment of autoimmune diseases, including multiple sclerosis and systemic lupus erythematosus. It is a potent and selective BTK inhibitor with high oral bioavailability. The compound is available from commercial suppliers for research purposes only.
|
| Molecular Formula |
C23H29N7O2
|
|---|---|
| Molecular Weight |
435.522063970566
|
| Exact Mass |
435.238
|
| CAS # |
1798787-27-5
|
| PubChem CID |
118139356
|
| Appearance |
Off-white to yellow solid powder
|
| Density |
1.30±0.1 g/cm3(Predicted)
|
| LogP |
2
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
32
|
| Complexity |
615
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
BMWMKGNVAMXXCH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C23H29N7O2/c1-15(2)32-20-13-30(14-20)23(31)25-10-18-6-5-17(9-16(18)3)21-7-8-24-22(28-21)27-19-11-26-29(4)12-19/h5-9,11-12,15,20H,10,13-14H2,1-4H3,(H,25,31)(H,24,27,28)
|
| Chemical Name |
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~31.25 mg/mL (~71.75 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.78 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 20.8 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: ≥ 2.08 mg/mL (4.78 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 20.8 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: ≥ 2.08 mg/mL (4.78 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 | 2.2961 mL | 11.4805 mL | 22.9611 mL | |
| 5 mM | 0.4592 mL | 2.2961 mL | 4.5922 mL | |
| 10 mM | 0.2296 mL | 1.1481 mL | 2.2961 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
