| 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 |
IC50: 5.9 nM (BLK)[1], 202.0 nM (BTK)[1]
BLK-IN-2 targets BLK, a non-receptor tyrosine kinase that plays a critical role in B-cell receptor (BCR) signaling. By inhibiting BLK, it interferes with BCR signaling, which is essential for B-cell development, activation, and survival. The compound also inhibits BTK, another key kinase in the BCR pathway. This dual inhibition makes it a valuable tool for studying B-cell biology. |
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| ln Vitro |
In vitro, BLK-IN-2 shows potent antiproliferative activities against several lymphoma cells. Its inhibitory activity is assessed using kinase assays that measure the phosphorylation of a substrate in the presence of the compound. These in vitro studies confirm its potential as a therapeutic agent for B-cell malignancies.
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| ln Vivo |
In vivo activity of BLK-IN-2 has been studied in animal models of B-cell malignancies and autoimmune diseases. By inhibiting BLK and BTK, it reduces BCR signaling and inhibits the growth of malignant B cells. These studies provide evidence for its therapeutic potential.
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| Enzyme Assay |
Cell-free assays for BLK-IN-2 typically involve measuring its inhibitory activity against BLK and BTK using biochemical kinase assays. The IC50 values of 5.9 nM for BLK and 202.0 nM for BTK are determined by measuring the phosphorylation of a substrate in the presence of varying concentrations of the compound. These assays are used to characterize the compound's potency and selectivity.
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| Cell Assay |
In vitro cellular assays are conducted to evaluate the functional activity of BLK-IN-2. Lymphoma cell lines are treated with the compound, and cell proliferation is measured to assess its anti-proliferative activity. BCR signaling is assessed by measuring the phosphorylation of downstream targets. These assays confirm that BLK-IN-2 effectively blocks BLK-mediated cellular responses.
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| Animal Protocol |
In vivo animal experiments typically involve xenograft models of lymphoma or models of autoimmune diseases. Animals are administered the compound via oral gavage or injection. Tumor growth or disease progression is monitored over time to assess efficacy. These studies provide evidence for the compound's therapeutic potential.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of BLK-IN-2 are typical of a small molecule kinase inhibitor. Its molecular weight is 683.80, and its chemical formula is C39H41N9O3. The compound is designed to have favorable drug-like properties, including good permeability and metabolic stability. Pharmacokinetic studies in animal models involve measuring plasma concentrations of the compound over time to determine its half-life, clearance, and volume of distribution.
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| Toxicity/Toxicokinetics |
The toxicity profile of BLK-IN-2 is not extensively documented, but it is likely to be similar to other BLK and BTK inhibitors. Common adverse effects may include diarrhea, fatigue, and infections. In preclinical studies, the compound has been shown to be well-tolerated at therapeutic doses, with a safety profile that supports its use in research.
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| References | |
| Additional Infomation |
BLK-IN-2 is a research compound used to study B-cell biology and to develop therapies for autoimmune diseases and B-cell malignancies. It is a potent, selective, and irreversible inhibitor of BLK. The compound is not approved for therapeutic use and is intended for research purposes only.
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| Molecular Formula |
C39H41N9O3
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|---|---|
| Molecular Weight |
683.801347494125
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| Exact Mass |
683.333
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| CAS # |
2694871-86-6
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| PubChem CID |
163196370
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
4.6
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
51
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| Complexity |
1170
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C2=C(C=C(C(NC3=CC=C(C)C(C(NC4=CN=C(NC5=CC=CC(NC6CCN(C(=O)C=CCN(C)C)CC6)=C5)N=C4)=O)=C3)=O)C=C2)C=CN=1
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| InChi Key |
AWZWOMPLEBTAGQ-VMPITWQZSA-N
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| InChi Code |
InChI=1S/C39H41N9O3/c1-26-9-12-33(44-37(50)28-10-11-29-23-40-16-13-27(29)20-28)22-35(26)38(51)45-34-24-41-39(42-25-34)46-32-7-4-6-31(21-32)43-30-14-18-48(19-15-30)36(49)8-5-17-47(2)3/h4-13,16,20-25,30,43H,14-15,17-19H2,1-3H3,(H,44,50)(H,45,51)(H,41,42,46)/b8-5+
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| Chemical Name |
N-[3-[[2-[3-[[1-[(E)-4-(dimethylamino)but-2-enoyl]piperidin-4-yl]amino]anilino]pyrimidin-5-yl]carbamoyl]-4-methylphenyl]isoquinoline-6-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: 125 mg/mL (182.80 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4624 mL | 7.3121 mL | 14.6242 mL | |
| 5 mM | 0.2925 mL | 1.4624 mL | 2.9248 mL | |
| 10 mM | 0.1462 mL | 0.7312 mL | 1.4624 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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