| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
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BIIB068 (BIIB-068) is a novel reversible and orally bioavailable BTK inhibitor with the potential to be used for autoimmune diseases such as systemic lupus erythematosus (SLE). It demonstrated good kinome selectivity with good overall drug-like properties for oral dosing, was well tolerated across preclinical species at pharmacologically relevant doses with good ADME properties, and achieved >90% inhibition of BTK phosphorylation (pBTK) in humans.
| 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].
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| 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].
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| References |
| Molecular Formula |
C23H29N7O2
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|---|---|
| Molecular Weight |
435.522063970566
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| Exact Mass |
435.238
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| CAS # |
1798787-27-5
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| PubChem CID |
118139356
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.30±0.1 g/cm3(Predicted)
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| LogP |
2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
32
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| Complexity |
615
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
BMWMKGNVAMXXCH-UHFFFAOYSA-N
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| 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)
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| Chemical Name |
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
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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 : ~31.25 mg/mL (~71.75 mM)
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|---|---|
| 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.
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